(4-chloro-3-methoxyphenyl)methanol

C8H9ClO2 — CID 10910038

IUPAC(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(CO)ccc1Cl
InChIInChI=1S/C8H9ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChIKeyQLZSSNHHXWSELG-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.84
Rot. Bonds2

About (4-chloro-3-methoxyphenyl)methanol

(4-chloro-3-methoxyphenyl)methanol (PubChem CID 10910038) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)methanol
PubChem CID10910038
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(CO)ccc1Cl
InChIInChI=1S/C8H9ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChIKeyQLZSSNHHXWSELG-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 (4-chloro-3-methoxyphenyl)methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)methanol (CID 10910038) is (4-chloro-3-methoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)methanol is COc1cc(CO)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)methanol?
The InChIKey is QLZSSNHHXWSELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)methanol?
(4-chloro-3-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 (4-chloro-3-methoxyphenyl)methanol is sourced from PubChem (CID 10910038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).