(2-chlorophenyl)methanol

C7H7ClO — CID 28810

IUPAC(2-chlorophenyl)methanol
SMILESOCc1ccccc1Cl
InChIInChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKeyMBYQPPXEXWRMQC-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.83
Rot. Bonds1

About (2-chlorophenyl)methanol

(2-chlorophenyl)methanol (PubChem CID 28810) has the molecular formula C7H7ClO and a molecular weight of 142.59 g/mol. Its IUPAC name is (2-chlorophenyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)methanol
PubChem CID28810
Molecular FormulaC7H7ClO
Molecular Weight142.59 g/mol
Exact Mass142.02
IUPAC Name(2-chlorophenyl)methanol
SMILESOCc1ccccc1Cl
InChIInChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKeyMBYQPPXEXWRMQC-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 ≤ 500142.59
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 642409
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CID 8401
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CID 18825
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CID 33983
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CID 228603
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CID 207300
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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methanol?
The IUPAC name of (2-chlorophenyl)methanol (CID 28810) is (2-chlorophenyl)methanol.
What is the SMILES notation for (2-chlorophenyl)methanol?
The canonical SMILES for (2-chlorophenyl)methanol is OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methanol?
The InChIKey is MBYQPPXEXWRMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2.
What are the key properties of (2-chlorophenyl)methanol?
(2-chlorophenyl)methanol has a molecular weight of 142.59 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 (2-chlorophenyl)methanol is sourced from PubChem (CID 28810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).