3-[(4-ethenylphenyl)methoxy]benzoic acid

C16H14O3 — CID 168678013

IUPAC3-[(4-ethenylphenyl)methoxy]benzoic acid
SMILESC=Cc1ccc(COc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C16H14O3/c1-2-12-6-8-13(9-7-12)11-19-15-5-3-4-14(10-15)16(17)18/h2-10H,1,11H2,(H,17,18)
InChIKeyPQPGWHSIPFROFH-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.61
Rot. Bonds5

About 3-[(4-ethenylphenyl)methoxy]benzoic acid

3-[(4-ethenylphenyl)methoxy]benzoic acid (PubChem CID 168678013) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methoxy]benzoic acid
PubChem CID168678013
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name3-[(4-ethenylphenyl)methoxy]benzoic acid
SMILESC=Cc1ccc(COc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C16H14O3/c1-2-12-6-8-13(9-7-12)11-19-15-5-3-4-14(10-15)16(17)18/h2-10H,1,11H2,(H,17,18)
InChIKeyPQPGWHSIPFROFH-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-butylphenyl)methoxy]benzoic acid
CID 66912959
3-[[4-[(3-carboxyphenoxy)methyl]phenyl]methylamino]benzoic acid
CID 118636142
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
CID 22052676
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
benzene-1,3-dicarboxylic acid;styrene
CID 159798879
(4-chlorophenyl)-[3-[(3-ethenylphenyl)methoxy]phenyl]methanone
CID 57412670
3-[(3-bromo-4-methoxyphenyl)methoxy]benzoic acid
CID 45286749
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
2-[(4-ethenylphenyl)methoxycarbonyl]terephthalic acid
CID 54141811

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenylphenyl)methoxy]benzoic acid?
The IUPAC name of 3-[(4-ethenylphenyl)methoxy]benzoic acid (CID 168678013) is 3-[(4-ethenylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(4-ethenylphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-[(4-ethenylphenyl)methoxy]benzoic acid is C=Cc1ccc(COc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methoxy]benzoic acid?
The InChIKey is PQPGWHSIPFROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-12-6-8-13(9-7-12)11-19-15-5-3-4-14(10-15)16(17)18/h2-10H,1,11H2,(H,17,18).
What are the key properties of 3-[(4-ethenylphenyl)methoxy]benzoic acid?
3-[(4-ethenylphenyl)methoxy]benzoic acid has a molecular weight of 254.28 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 168678013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).