CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)O
CAS: 58415-62-6
Name: 4-(5-heptylpyrimidin-2-yl)phenol
SMILES: CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)O

Molecular Processing

Molecular formula
C17H22N2O
Molecular weight
270.38
Exact mass
270.1732
XLogP
4.36
TPSA
46.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
81.6

Supplementary Information

InChIKey: SVCAHBHOQGCHHE-UHFFFAOYSA-N
Synonyme
58415-62-64-(5-heptyl-2-pyrimidinyl)phenol4-(5-heptylpyrimidin-2-yl)phenolSBB059402SCHEMBL71078074-(5-heptyl-2-pyrimidyl)phenolDTXSID30482234SVCAHBHOQGCHHE-UHFFFAOYSA-N4-(5-heptyl-pyrimidin-2-yl)-phenolAKOS0243896955-heptyl-2-(4-hydroxyphenyl)pyrimidine5-heptyl-2-(p-hydroxyphenyl)pyrimidineDA-20321ST510444164-(5-Heptylpyrimidin-2(1H)-ylidene)cyclohexa-2,5-dien-1-one
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