1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol

C10H12ClFO2 — CID 117311648

IUPAC1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(C)O)cc(F)c1Cl
InChIInChI=1S/C10H12ClFO2/c1-6(13)3-7-4-8(12)10(11)9(5-7)14-2/h4-6,13H,3H2,1-2H3
InChIKeyCRUCEAVTARNFGW-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol

1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol (PubChem CID 117311648) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
PubChem CID117311648
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(C)O)cc(F)c1Cl
InChIInChI=1S/C10H12ClFO2/c1-6(13)3-7-4-8(12)10(11)9(5-7)14-2/h4-6,13H,3H2,1-2H3
InChIKeyCRUCEAVTARNFGW-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311647
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 117325737
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601
1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
3-(4-chloro-3-hydroxy-5-methoxyphenyl)-2-methylpropanoic acid
CID 84802661
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol (CID 117311648) is 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol is COc1cc(CC(C)O)cc(F)c1Cl.
What is the InChIKey of 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol?
The InChIKey is CRUCEAVTARNFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-6(13)3-7-4-8(12)10(11)9(5-7)14-2/h4-6,13H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol?
1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol has a molecular weight of 218.65 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 117311648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).