2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol

C11H15ClO3 — CID 84694057

IUPAC2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
SMILESCOc1cc(Cl)c(C(C)(C)O)cc1OC
InChIInChI=1S/C11H15ClO3/c1-11(2,13)7-5-9(14-3)10(15-4)6-8(7)12/h5-6,13H,1-4H3
InChIKeyVCECJDBHEKSJSK-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.58
Rot. Bonds3

About 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol

2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol (PubChem CID 84694057) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
PubChem CID84694057
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
SMILESCOc1cc(Cl)c(C(C)(C)O)cc1OC
InChIInChI=1S/C11H15ClO3/c1-11(2,13)7-5-9(14-3)10(15-4)6-8(7)12/h5-6,13H,1-4H3
InChIKeyVCECJDBHEKSJSK-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol
CID 117400657
2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
CID 84684226

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol (CID 84694057) is 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol is COc1cc(Cl)c(C(C)(C)O)cc1OC.
What is the InChIKey of 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol?
The InChIKey is VCECJDBHEKSJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-11(2,13)7-5-9(14-3)10(15-4)6-8(7)12/h5-6,13H,1-4H3.
What are the key properties of 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol?
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol has a molecular weight of 230.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 84694057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).