(3-chloro-4-methoxyphenyl)methanol

C8H9ClO2 — CID 4312004

IUPAC(3-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(CO)cc1Cl
InChIInChI=1S/C8H9ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChIKeyTZHJVLGDHRXGDX-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.84
Rot. Bonds2

About (3-chloro-4-methoxyphenyl)methanol

(3-chloro-4-methoxyphenyl)methanol (PubChem CID 4312004) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)methanol
PubChem CID4312004
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name(3-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(CO)cc1Cl
InChIInChI=1S/C8H9ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChIKeyTZHJVLGDHRXGDX-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)methanol (CID 4312004) is (3-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)methanol is COc1ccc(CO)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)methanol?
The InChIKey is TZHJVLGDHRXGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)methanol?
(3-chloro-4-methoxyphenyl)methanol has a molecular weight of 172.61 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 4312004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).