4-anilino-3-phenylmethoxybenzoic acid

C20H17NO3 — CID 123431173

IUPAC4-anilino-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(Nc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H17NO3/c22-20(23)16-11-12-18(21-17-9-5-2-6-10-17)19(13-16)24-14-15-7-3-1-4-8-15/h1-13,21H,14H2,(H,22,23)
InChIKeyPIOMUNPMBDQIPX-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.71
Rot. Bonds6

About 4-anilino-3-phenylmethoxybenzoic acid

4-anilino-3-phenylmethoxybenzoic acid (PubChem CID 123431173) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-anilino-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-anilino-3-phenylmethoxybenzoic acid
PubChem CID123431173
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4-anilino-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(Nc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H17NO3/c22-20(23)16-11-12-18(21-17-9-5-2-6-10-17)19(13-16)24-14-15-7-3-1-4-8-15/h1-13,21H,14H2,(H,22,23)
InChIKeyPIOMUNPMBDQIPX-UHFFFAOYSA-N
XLogP4.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid
CID 118454086
4-phenylmethoxybenzoic acid
CID 68896574
4-[3-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212426
3-[(E)-1-(methylamino)prop-1-enoxy]-4-phenylmethoxybenzoic acid
CID 138583542
4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
CID 53228674
4-[[2-(anilinomethyl)phenoxy]methyl]benzoic acid
CID 126125704

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-phenylmethoxybenzoic acid?
The IUPAC name of 4-anilino-3-phenylmethoxybenzoic acid (CID 123431173) is 4-anilino-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-anilino-3-phenylmethoxybenzoic acid?
The canonical SMILES for 4-anilino-3-phenylmethoxybenzoic acid is O=C(O)c1ccc(Nc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-anilino-3-phenylmethoxybenzoic acid?
The InChIKey is PIOMUNPMBDQIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-20(23)16-11-12-18(21-17-9-5-2-6-10-17)19(13-16)24-14-15-7-3-1-4-8-15/h1-13,21H,14H2,(H,22,23).
What are the key properties of 4-anilino-3-phenylmethoxybenzoic acid?
4-anilino-3-phenylmethoxybenzoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 123431173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).