1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol

C11H15ClO3 — CID 117333392

IUPAC1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(Cl)c(CC(C)O)c1OC
InChIInChI=1S/C11H15ClO3/c1-7(13)6-8-9(12)4-5-10(14-2)11(8)15-3/h4-5,7,13H,6H2,1-3H3
InChIKeyPDUHCOSWGHYMCT-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.28
Rot. Bonds4

About 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol

1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol (PubChem CID 117333392) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
PubChem CID117333392
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(Cl)c(CC(C)O)c1OC
InChIInChI=1S/C11H15ClO3/c1-7(13)6-8-9(12)4-5-10(14-2)11(8)15-3/h4-5,7,13H,6H2,1-3H3
InChIKeyPDUHCOSWGHYMCT-UHFFFAOYSA-N
XLogP2.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
CID 117400677
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
CID 101127363
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine
CID 117366725
1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
CID 117288115
1-(2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 84677809
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
CID 117379906
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol (CID 117333392) is 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol is COc1ccc(Cl)c(CC(C)O)c1OC.
What is the InChIKey of 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol?
The InChIKey is PDUHCOSWGHYMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-7(13)6-8-9(12)4-5-10(14-2)11(8)15-3/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol?
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol has a molecular weight of 230.69 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 117333392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).