(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate

C16H14FO3- — CID 2038667

IUPAC(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3/c1-20-14-8-4-12(5-9-14)15(10-16(18)19)11-2-6-13(17)7-3-11/h2-9,15H,10H2,1H3,(H,18,19)/p-1/t15-/m1/s1
InChIKeyUCLJFGSDWVZMEH-OAHLLOKOSA-M
MW273.28 g/mol
LogP2.11
Rot. Bonds5

About (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate

(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate (PubChem CID 2038667) has the molecular formula C16H14FO3- and a molecular weight of 273.28 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
PubChem CID2038667
Molecular FormulaC16H14FO3-
Molecular Weight273.28 g/mol
Exact Mass273.09
IUPAC Name(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3/c1-20-14-8-4-12(5-9-14)15(10-16(18)19)11-2-6-13(17)7-3-11/h2-9,15H,10H2,1H3,(H,18,19)/p-1/t15-/m1/s1
InChIKeyUCLJFGSDWVZMEH-OAHLLOKOSA-M
XLogP2.11
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate 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

sodium 3-[4-(2-ethylbutoxy)phenyl]-3-(4-fluorophenyl)propanoate
CID 42603098
(3S)-3-(4-methoxyphenyl)-4-methylpentanoate
CID 7083022
(2R)-2-(4-methoxyphenyl)butanedioate
CID 6941687
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
(3S)-3-cyano-3-(4-methoxyphenyl)propanoate
CID 7350517
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
3,3-bis[4-(2-iodopropanoyloxy)phenyl]propanoate
CID 155784810
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
CID 6935403
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
1,1-bis(4-methoxyphenyl)heptane-3,5-dione
CID 70980795

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate (CID 2038667) is (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate is COc1ccc([C@H](CC(=O)[O-])c2ccc(F)cc2)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate?
The InChIKey is UCLJFGSDWVZMEH-OAHLLOKOSA-M. The full InChI is InChI=1S/C16H15FO3/c1-20-14-8-4-12(5-9-14)15(10-16(18)19)11-2-6-13(17)7-3-11/h2-9,15H,10H2,1H3,(H,18,19)/p-1/t15-/m1/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate?
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate has a molecular weight of 273.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 2038667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).