4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid

C23H19ClO3 — CID 54429910

IUPAC4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid
SMILESO=C(O)c1ccc(CC=Cc2ccc(Cl)cc2OCc2ccccc2)cc1
InChIInChI=1S/C23H19ClO3/c24-21-14-13-19(22(15-21)27-16-18-5-2-1-3-6-18)8-4-7-17-9-11-20(12-10-17)23(25)26/h1-6,8-15H,7,16H2,(H,25,26)
InChIKeyWGSXVKDGIIBCMY-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.87
Rot. Bonds7

About 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid

4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid (PubChem CID 54429910) has the molecular formula C23H19ClO3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid
PubChem CID54429910
Molecular FormulaC23H19ClO3
Molecular Weight378.86 g/mol
Exact Mass378.10
IUPAC Name4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid
SMILESO=C(O)c1ccc(CC=Cc2ccc(Cl)cc2OCc2ccccc2)cc1
InChIInChI=1S/C23H19ClO3/c24-21-14-13-19(22(15-21)27-16-18-5-2-1-3-6-18)8-4-7-17-9-11-20(12-10-17)23(25)26/h1-6,8-15H,7,16H2,(H,25,26)
InChIKeyWGSXVKDGIIBCMY-UHFFFAOYSA-N
XLogP5.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-chloro-2-(phenyliminomethyl)phenoxy]methyl]benzoic acid
CID 126224839
3-bromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 18973994
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
4-[4-[4-(4-carboxyphenyl)-6-chloro-2-phenylmethoxynaphthalen-1-yl]-7-chloro-3-phenylmethoxynaphthalen-1-yl]benzoic acid
CID 102214723
4-[[2-[benzenesulfonyl(methyl)amino]-5-chlorophenoxy]methyl]benzoic acid
CID 15922874
3-[(4-chlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311750
3-(2-phenylethenyl)-4-phenylmethoxybenzoic acid
CID 57066930
4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
CID 53228674
3-(4-ethyl-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 69057883
4-[[2-[benzenesulfonyl(2-hydroxyethyl)amino]-5-chlorophenoxy]methyl]benzoic acid
CID 15922875
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
4-[(Z)-3-(5-methylsulfanyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoic acid
CID 70346049

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid?
The IUPAC name of 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid (CID 54429910) is 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid.
What is the SMILES notation for 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid?
The canonical SMILES for 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid is O=C(O)c1ccc(CC=Cc2ccc(Cl)cc2OCc2ccccc2)cc1.
What is the InChIKey of 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid?
The InChIKey is WGSXVKDGIIBCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO3/c24-21-14-13-19(22(15-21)27-16-18-5-2-1-3-6-18)8-4-7-17-9-11-20(12-10-17)23(25)26/h1-6,8-15H,7,16H2,(H,25,26).
What are the key properties of 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid?
4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid has a molecular weight of 378.86 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-2-phenylmethoxyphenyl)prop-2-enyl]benzoic acid is sourced from PubChem (CID 54429910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).