2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol

C12H17ClO3 — CID 117363911

IUPAC2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C(C)CO)c(OC)c1Cl
InChIInChI=1S/C12H17ClO3/c1-7-5-9(8(2)6-14)12(16-4)10(13)11(7)15-3/h5,8,14H,6H2,1-4H3
InChIKeyGBVSDLWOLGACSO-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.76
Rot. Bonds4

About 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol

2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol (PubChem CID 117363911) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol
PubChem CID117363911
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C(C)CO)c(OC)c1Cl
InChIInChI=1S/C12H17ClO3/c1-7-5-9(8(2)6-14)12(16-4)10(13)11(7)15-3/h5,8,14H,6H2,1-4H3
InChIKeyGBVSDLWOLGACSO-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
CID 117333428
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
CID 117287969
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
3-(4-chloro-2-methoxy-3,5-dimethylphenyl)butanal
CID 117354146
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
CID 117384454

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol (CID 117363911) is 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol is COc1c(C)cc(C(C)CO)c(OC)c1Cl.
What is the InChIKey of 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol?
The InChIKey is GBVSDLWOLGACSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-7-5-9(8(2)6-14)12(16-4)10(13)11(7)15-3/h5,8,14H,6H2,1-4H3.
What are the key properties of 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol?
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol has a molecular weight of 244.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 117363911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).