2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol

C15H14ClFO2 — CID 105083853

IUPAC2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)c1ccccc1F
InChIInChI=1S/C15H14ClFO2/c1-10(19-12-6-4-5-11(16)9-12)15(18)13-7-2-3-8-14(13)17/h2-10,15,18H,1H3
InChIKeyBECOYUMDECBNSF-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol

2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol (PubChem CID 105083853) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
PubChem CID105083853
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)c1ccccc1F
InChIInChI=1S/C15H14ClFO2/c1-10(19-12-6-4-5-11(16)9-12)15(18)13-7-2-3-8-14(13)17/h2-10,15,18H,1H3
InChIKeyBECOYUMDECBNSF-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
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2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
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2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
3-(3-chlorophenoxy)-1-(2-fluorophenyl)butan-2-one
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1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105119310
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
[2-(3-chlorophenoxy)-1-(2,3-difluorophenyl)propyl]hydrazine
CID 105309301
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol (CID 105083853) is 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol is CC(Oc1cccc(Cl)c1)C(O)c1ccccc1F.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is BECOYUMDECBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-10(19-12-6-4-5-11(16)9-12)15(18)13-7-2-3-8-14(13)17/h2-10,15,18H,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol?
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 280.73 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 105083853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).