4-phenylmethoxybenzoic acid

C28H24O6 — CID 68896574

IUPAC4-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(OCc2ccccc2)cc1.O=C(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/2C14H12O3/c2*15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h2*1-9H,10H2,(H,15,16)
InChIKeyXMOWRYBEXAXDTO-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.93
Rot. Bonds8

About 4-phenylmethoxybenzoic acid

4-phenylmethoxybenzoic acid (PubChem CID 68896574) has the molecular formula C28H24O6 and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-phenylmethoxybenzoic acid
PubChem CID68896574
Molecular FormulaC28H24O6
Molecular Weight456.49 g/mol
Exact Mass456.16
IUPAC Name4-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(OCc2ccccc2)cc1.O=C(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/2C14H12O3/c2*15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h2*1-9H,10H2,(H,15,16)
InChIKeyXMOWRYBEXAXDTO-UHFFFAOYSA-N
XLogP5.93
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxybenzoic acid?
The IUPAC name of 4-phenylmethoxybenzoic acid (CID 68896574) is 4-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-phenylmethoxybenzoic acid?
The canonical SMILES for 4-phenylmethoxybenzoic acid is O=C(O)c1ccc(OCc2ccccc2)cc1.O=C(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxybenzoic acid?
The InChIKey is XMOWRYBEXAXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12O3/c2*15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h2*1-9H,10H2,(H,15,16).
What are the key properties of 4-phenylmethoxybenzoic acid?
4-phenylmethoxybenzoic acid has a molecular weight of 456.49 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxybenzoic acid is sourced from PubChem (CID 68896574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).