[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone

C34H27NO3 — CID 58819189

IUPAC[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
SMILESCc1ccc(OCc2ccc(C(=O)c3ccc(Nc4ccc(C(=O)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H27NO3/c1-24-7-21-32(22-8-24)38-23-25-9-11-27(12-10-25)34(37)29-15-19-31(20-16-29)35-30-17-13-28(14-18-30)33(36)26-5-3-2-4-6-26/h2-22,35H,23H2,1H3
InChIKeyGDZBXSCUTNSXBP-UHFFFAOYSA-N
MW497.59 g/mol
LogP7.78
Rot. Bonds9

About [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone

[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone (PubChem CID 58819189) has the molecular formula C34H27NO3 and a molecular weight of 497.59 g/mol. Its IUPAC name is [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
PubChem CID58819189
Molecular FormulaC34H27NO3
Molecular Weight497.59 g/mol
Exact Mass497.20
IUPAC Name[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
SMILESCc1ccc(OCc2ccc(C(=O)c3ccc(Nc4ccc(C(=O)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H27NO3/c1-24-7-21-32(22-8-24)38-23-25-9-11-27(12-10-25)34(37)29-15-19-31(20-16-29)35-30-17-13-28(14-18-30)33(36)26-5-3-2-4-6-26/h2-22,35H,23H2,1H3
InChIKeyGDZBXSCUTNSXBP-UHFFFAOYSA-N
XLogP7.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 170162201
methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 172781894
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone (CID 58819189) is [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone is Cc1ccc(OCc2ccc(C(=O)c3ccc(Nc4ccc(C(=O)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone?
The InChIKey is GDZBXSCUTNSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NO3/c1-24-7-21-32(22-8-24)38-23-25-9-11-27(12-10-25)34(37)29-15-19-31(20-16-29)35-30-17-13-28(14-18-30)33(36)26-5-3-2-4-6-26/h2-22,35H,23H2,1H3.
What are the key properties of [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone?
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone has a molecular weight of 497.59 g/mol, XLogP of 7.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone is sourced from PubChem (CID 58819189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).