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

C12H17ClO3 — CID 117363837

IUPAC1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
SMILESCOc1cc(C)c(Cl)c(CC(C)O)c1OC
InChIInChI=1S/C12H17ClO3/c1-7-5-10(15-3)12(16-4)9(11(7)13)6-8(2)14/h5,8,14H,6H2,1-4H3
InChIKeyCHHHBBIAOWEEEO-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.59
Rot. Bonds4

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

1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol (PubChem CID 117363837) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
PubChem CID117363837
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
SMILESCOc1cc(C)c(Cl)c(CC(C)O)c1OC
InChIInChI=1S/C12H17ClO3/c1-7-5-10(15-3)12(16-4)9(11(7)13)6-8(2)14/h5,8,14H,6H2,1-4H3
InChIKeyCHHHBBIAOWEEEO-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
CID 117400677
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
CID 101127363
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
CID 145244698
3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 117395369
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
CID 112513727

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol (CID 117363837) is 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol is COc1cc(C)c(Cl)c(CC(C)O)c1OC.
What is the InChIKey of 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol?
The InChIKey is CHHHBBIAOWEEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-7-5-10(15-3)12(16-4)9(11(7)13)6-8(2)14/h5,8,14H,6H2,1-4H3.
What are the key properties of 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol?
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol has a molecular weight of 244.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 117363837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).