4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid

C21H19NO4 — CID 139957869

IUPAC4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
SMILESCOc1cccc(N(c2ccc(C(=O)O)cc2)c2cccc(OC)c2)c1
InChIInChI=1S/C21H19NO4/c1-25-19-7-3-5-17(13-19)22(18-6-4-8-20(14-18)26-2)16-11-9-15(10-12-16)21(23)24/h3-14H,1-2H3,(H,23,24)
InChIKeyCEHDJRTXJHOCAN-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.87
Rot. Bonds6

About 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid

4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid (PubChem CID 139957869) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid.

Molecular Properties

Compound Name4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
PubChem CID139957869
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
SMILESCOc1cccc(N(c2ccc(C(=O)O)cc2)c2cccc(OC)c2)c1
InChIInChI=1S/C21H19NO4/c1-25-19-7-3-5-17(13-19)22(18-6-4-8-20(14-18)26-2)16-11-9-15(10-12-16)21(23)24/h3-14H,1-2H3,(H,23,24)
InChIKeyCEHDJRTXJHOCAN-UHFFFAOYSA-N
XLogP4.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
CID 58939356
3-(N-[4-[4-(N-(3-methoxyphenyl)anilino)-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]anilino]phenyl]anilino)benzaldehyde
CID 126595640
3-methoxy-N-[4-[2-[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]ethynyl]phenyl]-N-(3-methoxyphenyl)aniline
CID 18996817
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate
CID 163940283
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid?
The IUPAC name of 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid (CID 139957869) is 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid.
What is the SMILES notation for 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid?
The canonical SMILES for 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid is COc1cccc(N(c2ccc(C(=O)O)cc2)c2cccc(OC)c2)c1.
What is the InChIKey of 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid?
The InChIKey is CEHDJRTXJHOCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-25-19-7-3-5-17(13-19)22(18-6-4-8-20(14-18)26-2)16-11-9-15(10-12-16)21(23)24/h3-14H,1-2H3,(H,23,24).
What are the key properties of 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid?
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid has a molecular weight of 349.39 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid is sourced from PubChem (CID 139957869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).