2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol

C13H19ClO2 — CID 117358931

IUPAC2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C(C)(C)CO)cc(C)c(C)c1Cl
InChIInChI=1S/C13H19ClO2/c1-8-6-10(13(3,4)7-15)12(16-5)11(14)9(8)2/h6,15H,7H2,1-5H3
InChIKeyUEXGLEYRCZQAHQ-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.24
Rot. Bonds3

About 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol

2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 117358931) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID117358931
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C(C)(C)CO)cc(C)c(C)c1Cl
InChIInChI=1S/C13H19ClO2/c1-8-6-10(13(3,4)7-15)12(16-5)11(14)9(8)2/h6,15H,7H2,1-5H3
InChIKeyUEXGLEYRCZQAHQ-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
CID 117297885
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117303450
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol (CID 117358931) is 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol is COc1c(C(C)(C)CO)cc(C)c(C)c1Cl.
What is the InChIKey of 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is UEXGLEYRCZQAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-8-6-10(13(3,4)7-15)12(16-5)11(14)9(8)2/h6,15H,7H2,1-5H3.
What are the key properties of 2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol?
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 3.24, 3 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-4,5-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117358931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).