(4-chlorophenyl)methanol

C7H7ClO — CID 13397

IUPAC(4-chlorophenyl)methanol
SMILESOCc1ccc(Cl)cc1
InChIInChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKeyPTHGDVCPCZKZKR-UHFFFAOYSA-N
MW142.58 g/mol
LogP1.83
Rot. Bonds1

About (4-chlorophenyl)methanol

(4-chlorophenyl)methanol (PubChem CID 13397) has the molecular formula C7H7ClO and a molecular weight of 142.58 g/mol. Its IUPAC name is (4-chlorophenyl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)methanol
PubChem CID13397
Molecular FormulaC7H7ClO
Molecular Weight142.58 g/mol
Exact Mass142.02
IUPAC Name(4-chlorophenyl)methanol
SMILESOCc1ccc(Cl)cc1
InChIInChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKeyPTHGDVCPCZKZKR-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.58
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methanol?
The IUPAC name of (4-chlorophenyl)methanol (CID 13397) is (4-chlorophenyl)methanol.
What is the SMILES notation for (4-chlorophenyl)methanol?
The canonical SMILES for (4-chlorophenyl)methanol is OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methanol?
The InChIKey is PTHGDVCPCZKZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2.
What are the key properties of (4-chlorophenyl)methanol?
(4-chlorophenyl)methanol has a molecular weight of 142.58 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methanol is sourced from PubChem (CID 13397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).