2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol

C13H19ClO3 — CID 117400699

IUPAC2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(Cl)cc(C)c(C(C)(C)CO)c1OC
InChIInChI=1S/C13H19ClO3/c1-8-6-9(14)11(16-4)12(17-5)10(8)13(2,3)7-15/h6,15H,7H2,1-5H3
InChIKeyHWRISDUUMZDDQE-UHFFFAOYSA-N
MW258.74 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol

2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117400699) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
PubChem CID117400699
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(Cl)cc(C)c(C(C)(C)CO)c1OC
InChIInChI=1S/C13H19ClO3/c1-8-6-9(14)11(16-4)12(17-5)10(8)13(2,3)7-15/h6,15H,7H2,1-5H3
InChIKeyHWRISDUUMZDDQE-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol (CID 117400699) is 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol is COc1c(Cl)cc(C)c(C(C)(C)CO)c1OC.
What is the InChIKey of 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is HWRISDUUMZDDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-8-6-9(14)11(16-4)12(17-5)10(8)13(2,3)7-15/h6,15H,7H2,1-5H3.
What are the key properties of 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol?
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 258.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117400699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).