3-(4-chlorophenyl)phenol

C12H9ClO — CID 3015395

IUPAC3-(4-chlorophenyl)phenol
SMILESOc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H9ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H
InChIKeyCIPDQYWUAVNLSD-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.71
Rot. Bonds1

About 3-(4-chlorophenyl)phenol

3-(4-chlorophenyl)phenol (PubChem CID 3015395) has the molecular formula C12H9ClO and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)phenol.

Molecular Properties

Compound Name3-(4-chlorophenyl)phenol
PubChem CID3015395
Molecular FormulaC12H9ClO
Molecular Weight204.66 g/mol
Exact Mass204.03
IUPAC Name3-(4-chlorophenyl)phenol
SMILESOc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C12H9ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H
InChIKeyCIPDQYWUAVNLSD-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
3-(3-chlorophenyl)phenol;ethane
CID 142088616
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
octalen-2-ol
CID 174999308
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
3-[4-(dimethylamino)phenyl]phenol
CID 39231657
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
3-(4-nitrophenyl)phenol
CID 15743438
3-(4-chlorophenyl)benzoic acid
CID 2757419
3-[(Z)-1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)-2-methylprop-1-enyl]phenol
CID 15411191

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)phenol?
The IUPAC name of 3-(4-chlorophenyl)phenol (CID 3015395) is 3-(4-chlorophenyl)phenol.
What is the SMILES notation for 3-(4-chlorophenyl)phenol?
The canonical SMILES for 3-(4-chlorophenyl)phenol is Oc1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)phenol?
The InChIKey is CIPDQYWUAVNLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H.
What are the key properties of 3-(4-chlorophenyl)phenol?
3-(4-chlorophenyl)phenol has a molecular weight of 204.66 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)phenol is sourced from PubChem (CID 3015395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).