1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol

C10H12ClFO2 — CID 103039553

IUPAC1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFO2/c1-14-6-8(13)4-7-2-3-10(12)9(11)5-7/h2-3,5,8,13H,4,6H2,1H3
InChIKeyLFLMABRPSFSPHC-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol

1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol (PubChem CID 103039553) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
PubChem CID103039553
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFO2/c1-14-6-8(13)4-7-2-3-10(12)9(11)5-7/h2-3,5,8,13H,4,6H2,1H3
InChIKeyLFLMABRPSFSPHC-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
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1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
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1-(4-chloro-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-ol
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1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 107889050
2-(3-chloro-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
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1-(3-chloro-4-fluorophenyl)propan-2-amine
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CID 63035603

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol (CID 103039553) is 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol is COCC(O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol?
The InChIKey is LFLMABRPSFSPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-14-6-8(13)4-7-2-3-10(12)9(11)5-7/h2-3,5,8,13H,4,6H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol?
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol has a molecular weight of 218.65 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol is sourced from PubChem (CID 103039553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).