(3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol

C18H16ClFO2 — CID 139043204

IUPAC(3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol
SMILESC/C(=C1\COC[C@]1(O)c1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFO2/c1-12(13-5-7-16(20)8-6-13)17-10-22-11-18(17,21)14-3-2-4-15(19)9-14/h2-9,21H,10-11H2,1H3/b17-12-/t18-/m0/s1
InChIKeyOOQYEIFUSBKZOS-FSEPTYSPSA-N
MW318.78 g/mol
LogP4.17
Rot. Bonds2

About (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol

(3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol (PubChem CID 139043204) has the molecular formula C18H16ClFO2 and a molecular weight of 318.78 g/mol. Its IUPAC name is (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol
PubChem CID139043204
Molecular FormulaC18H16ClFO2
Molecular Weight318.78 g/mol
Exact Mass318.08
IUPAC Name(3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol
SMILESC/C(=C1\COC[C@]1(O)c1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFO2/c1-12(13-5-7-16(20)8-6-13)17-10-22-11-18(17,21)14-3-2-4-15(19)9-14/h2-9,21H,10-11H2,1H3/b17-12-/t18-/m0/s1
InChIKeyOOQYEIFUSBKZOS-FSEPTYSPSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-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

Etoxinol
CID 22342
2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 16730269
2,3-Bis-(2-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 44424015
(2R,3S,5R)-5-(5-chloro-2,4-difluoro-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502237
(2R,3S,5S)-5-(5-chloro-2,4-difluoro-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502250
1-(3-Chlorophenyl)-1-(3,5-difluorophenyl)octan-1-ol
CID 70688911
1-(3-Chlorophenyl)-1-(3,4-difluorophenyl)octan-1-ol
CID 70690999
[3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
CID 14693340
(2S,4aR,8R,8aR)-2-(3-chlorophenyl)-4,7-dimethyl-2,3,4a,5,8,8a-hexahydrochromene-4,8-diol
CID 73355354
alpha-(4-Chlorophenyl)-alpha-(2-fluorophenyl)oxiranemethanol
CID 14157414
[(2R,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methanol
CID 14693341
[3-(2-Chlorophenyl)-2-(2-fluorophenyl)oxiran-2-yl]methanol
CID 17959683

Frequently Asked Questions

What is the IUPAC name of (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol?
The IUPAC name of (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol (CID 139043204) is (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol.
What is the SMILES notation for (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol?
The canonical SMILES for (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol is C/C(=C1\COC[C@]1(O)c1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol?
The InChIKey is OOQYEIFUSBKZOS-FSEPTYSPSA-N. The full InChI is InChI=1S/C18H16ClFO2/c1-12(13-5-7-16(20)8-6-13)17-10-22-11-18(17,21)14-3-2-4-15(19)9-14/h2-9,21H,10-11H2,1H3/b17-12-/t18-/m0/s1.
What are the key properties of (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol?
(3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol has a molecular weight of 318.78 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4Z)-3-(3-chlorophenyl)-4-[1-(4-fluorophenyl)ethylidene]oxolan-3-ol is sourced from PubChem (CID 139043204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).