1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol

C24H20ClFO2 — CID 152746808

IUPAC1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol
SMILESOC(Cc1ccc(F)c(Oc2ccccc2)c1)CC1(c2ccc(Cl)cc2)C=C1
InChIInChI=1S/C24H20ClFO2/c25-19-9-7-18(8-10-19)24(12-13-24)16-20(27)14-17-6-11-22(26)23(15-17)28-21-4-2-1-3-5-21/h1-13,15,20,27H,14,16H2
InChIKeyJVZXPQVAZLJVAF-UHFFFAOYSA-N
MW394.87 g/mol
LogP6.07
Rot. Bonds7

About 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol

1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol (PubChem CID 152746808) has the molecular formula C24H20ClFO2 and a molecular weight of 394.87 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol
PubChem CID152746808
Molecular FormulaC24H20ClFO2
Molecular Weight394.87 g/mol
Exact Mass394.11
IUPAC Name1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol
SMILESOC(Cc1ccc(F)c(Oc2ccccc2)c1)CC1(c2ccc(Cl)cc2)C=C1
InChIInChI=1S/C24H20ClFO2/c25-19-9-7-18(8-10-19)24(12-13-24)16-20(27)14-17-6-11-22(26)23(15-17)28-21-4-2-1-3-5-21/h1-13,15,20,27H,14,16H2
InChIKeyJVZXPQVAZLJVAF-UHFFFAOYSA-N
XLogP6.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.87
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene
CID 21269893
4-(4-chlorophenyl)-4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 54171440
(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
CID 19754847
2-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 11397324
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 141024524
(2R,3R)-2-[(2S)-2-(4-chlorophenyl)-2-cyclopropylethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 154452581
2-(4-chlorophenoxy)-4-[[3-(4-chlorophenoxy)-4-fluorophenyl]methoxymethyl]-1-fluorobenzene
CID 139679017
1-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
2-(4-fluoro-3-phenoxyphenyl)acetonitrile
CID 11172199
4-[4-(4-chlorophenyl)-2,3-difluoro-5,5-dimethylhex-2-enyl]-1-fluoro-2-phenoxybenzene
CID 140995550

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol (CID 152746808) is 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol is OC(Cc1ccc(F)c(Oc2ccccc2)c1)CC1(c2ccc(Cl)cc2)C=C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol?
The InChIKey is JVZXPQVAZLJVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFO2/c25-19-9-7-18(8-10-19)24(12-13-24)16-20(27)14-17-6-11-22(26)23(15-17)28-21-4-2-1-3-5-21/h1-13,15,20,27H,14,16H2.
What are the key properties of 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol?
1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol has a molecular weight of 394.87 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol is sourced from PubChem (CID 152746808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).