CC(C)C1=C(C=CC(=C1)O)Cl
CAS: 14200-19-2
Name: 4-chloro-3-propan-2-ylphenol
SMILES: CC(C)C1=C(C=CC(=C1)O)Cl

Molecular Processing

Molecular formula
C9H11ClO
Molecular weight
170.64
Exact mass
170.0498
XLogP
3.17
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
47.21

Supplementary Information

InChIKey: SSIRREBTSKSKDS-UHFFFAOYSA-N
Synonyms
4-CHLORO-3-ISOPROPYLPHENOL14200-19-24-chloro-3-isopropyl-phenolSCHEMBL1494133SSIRREBTSKSKDS-UHFFFAOYSA-NGS2668MFCD16997136MB224574-CHLORO-3-(PROPAN-2-YL)PHENOLDB-123406H67059
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Involved in 8 reactions→

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