2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol

C12H17ClO2 — CID 117329674

IUPAC2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol
SMILESCOc1c(Cl)c(C)cc(C)c1C(C)(C)O
InChIInChI=1S/C12H17ClO2/c1-7-6-8(2)10(13)11(15-5)9(7)12(3,4)14/h6,14H,1-5H3
InChIKeyZKMUXWMSQYDMBB-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.19
Rot. Bonds2

About 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol

2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol (PubChem CID 117329674) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol
PubChem CID117329674
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol
SMILESCOc1c(Cl)c(C)cc(C)c1C(C)(C)O
InChIInChI=1S/C12H17ClO2/c1-7-6-8(2)10(13)11(15-5)9(7)12(3,4)14/h6,14H,1-5H3
InChIKeyZKMUXWMSQYDMBB-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117425605
2-(2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117300531
2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
CID 117306060
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
CID 145244698
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
CID 84692181
1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
CID 84803778
2-(2-chloro-6-methoxy-3,5-dimethylphenyl)ethanol
CID 117306109
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 84704189

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol (CID 117329674) is 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol is COc1c(Cl)c(C)cc(C)c1C(C)(C)O.
What is the InChIKey of 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol?
The InChIKey is ZKMUXWMSQYDMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-7-6-8(2)10(13)11(15-5)9(7)12(3,4)14/h6,14H,1-5H3.
What are the key properties of 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol?
2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 117329674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).