3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol

C12H17ClO3 — CID 117363862

IUPAC3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
SMILESCOc1cc(Cl)c(C)c(CCCO)c1OC
InChIInChI=1S/C12H17ClO3/c1-8-9(5-4-6-14)12(16-3)11(15-2)7-10(8)13/h7,14H,4-6H2,1-3H3
InChIKeyKOEPQQSQGTXMCQ-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.59
Rot. Bonds5

About 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol

3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol (PubChem CID 117363862) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
PubChem CID117363862
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
SMILESCOc1cc(Cl)c(C)c(CCCO)c1OC
InChIInChI=1S/C12H17ClO3/c1-8-9(5-4-6-14)12(16-3)11(15-2)7-10(8)13/h7,14H,4-6H2,1-3H3
InChIKeyKOEPQQSQGTXMCQ-UHFFFAOYSA-N
XLogP2.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693141
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
CID 117345741
3-(5-chloro-2-methoxy-3,6-dimethylphenyl)propane-1-thiol
CID 83940433
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
4-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)butanoic acid
CID 117400546
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol?
The IUPAC name of 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol (CID 117363862) is 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol is COc1cc(Cl)c(C)c(CCCO)c1OC.
What is the InChIKey of 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol?
The InChIKey is KOEPQQSQGTXMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-8-9(5-4-6-14)12(16-3)11(15-2)7-10(8)13/h7,14H,4-6H2,1-3H3.
What are the key properties of 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol?
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol has a molecular weight of 244.72 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol is sourced from PubChem (CID 117363862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).