2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol

C12H17ClO2 — CID 82288338

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)cc(Cl)cc1C(C)(C)CO
InChIInChI=1S/C12H17ClO2/c1-8-5-9(13)6-10(11(8)15-4)12(2,3)7-14/h5-6,14H,7H2,1-4H3
InChIKeyAOZMEOZIKYJYEJ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.93
Rot. Bonds3

About 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol

2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol (PubChem CID 82288338) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
PubChem CID82288338
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)cc(Cl)cc1C(C)(C)CO
InChIInChI=1S/C12H17ClO2/c1-8-5-9(13)6-10(11(8)15-4)12(2,3)7-14/h5-6,14H,7H2,1-4H3
InChIKeyAOZMEOZIKYJYEJ-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxy-3-methylphenyl)propane-2-thiol
CID 116866596
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 82293509
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-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
5-chloro-1-[cyclopropyl(difluoro)methyl]-2-methoxy-3-methylbenzene
CID 116841694
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-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol (CID 82288338) is 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol is COc1c(C)cc(Cl)cc1C(C)(C)CO.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is AOZMEOZIKYJYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-8-5-9(13)6-10(11(8)15-4)12(2,3)7-14/h5-6,14H,7H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol?
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 82288338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).