1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol

C10H12ClFO2 — CID 105394437

IUPAC1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
SMILESCOCCC(O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H12ClFO2/c1-14-5-4-10(13)8-6-7(12)2-3-9(8)11/h2-3,6,10,13H,4-5H2,1H3
InChIKeyFKWBJWQQJGIZAB-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol

1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol (PubChem CID 105394437) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
PubChem CID105394437
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
SMILESCOCCC(O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H12ClFO2/c1-14-5-4-10(13)8-6-7(12)2-3-9(8)11/h2-3,6,10,13H,4-5H2,1H3
InChIKeyFKWBJWQQJGIZAB-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105397604
1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol
CID 114853191
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 83690027
1-(2-amino-5-fluorophenyl)-2-methoxyethanol
CID 82685227
methyl 3-(2-chloro-5-fluorophenyl)butanoate
CID 171372743
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol (CID 105394437) is 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol is COCCC(O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol?
The InChIKey is FKWBJWQQJGIZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-14-5-4-10(13)8-6-7(12)2-3-9(8)11/h2-3,6,10,13H,4-5H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol?
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol has a molecular weight of 218.65 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol is sourced from PubChem (CID 105394437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).