2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol

C11H14ClFO3 — CID 84706691

IUPAC2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)c(F)c(Cl)c1OC
InChIInChI=1S/C11H14ClFO3/c1-11(2,14)6-5-7(15-3)10(16-4)8(12)9(6)13/h5,14H,1-4H3
InChIKeyIYVQFNROJDZTEZ-UHFFFAOYSA-N
MW248.68 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol

2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol (PubChem CID 84706691) has the molecular formula C11H14ClFO3 and a molecular weight of 248.68 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
PubChem CID84706691
Molecular FormulaC11H14ClFO3
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)c(F)c(Cl)c1OC
InChIInChI=1S/C11H14ClFO3/c1-11(2,14)6-5-7(15-3)10(16-4)8(12)9(6)13/h5,14H,1-4H3
InChIKeyIYVQFNROJDZTEZ-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
CID 84684226
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
CID 117305491
2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
CID 84705649
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol (CID 84706691) is 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol is COc1cc(C(C)(C)O)c(F)c(Cl)c1OC.
What is the InChIKey of 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol?
The InChIKey is IYVQFNROJDZTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3/c1-11(2,14)6-5-7(15-3)10(16-4)8(12)9(6)13/h5,14H,1-4H3.
What are the key properties of 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol?
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol has a molecular weight of 248.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 84706691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).