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

C12H17ClO3 — CID 117363900

IUPAC2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
SMILESCOc1c(C(C)CO)cc(Cl)c(C)c1OC
InChIInChI=1S/C12H17ClO3/c1-7(6-14)9-5-10(13)8(2)11(15-3)12(9)16-4/h5,7,14H,6H2,1-4H3
InChIKeyDGYZFBLYEAUONT-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.76
Rot. Bonds4

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

2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol (PubChem CID 117363900) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
PubChem CID117363900
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
SMILESCOc1c(C(C)CO)cc(Cl)c(C)c1OC
InChIInChI=1S/C12H17ClO3/c1-7(6-14)9-5-10(13)8(2)11(15-3)12(9)16-4/h5,7,14H,6H2,1-4H3
InChIKeyDGYZFBLYEAUONT-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-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 117363911
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-amino-4-(5-chloro-2,3,4-trimethoxyphenyl)pentan-2-ol
CID 83925659

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol (CID 117363900) is 2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol is COc1c(C(C)CO)cc(Cl)c(C)c1OC.
What is the InChIKey of 2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol?
The InChIKey is DGYZFBLYEAUONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-7(6-14)9-5-10(13)8(2)11(15-3)12(9)16-4/h5,7,14H,6H2,1-4H3.
What are the key properties of 2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol?
2-(5-chloro-2,3-dimethoxy-4-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-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 117363900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).