phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone

C29H26O2 — CID 102460465

IUPACphenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(C(CCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C29H26O2/c30-29(26-14-8-3-9-15-26)27-19-17-25(18-20-27)28(21-16-23-10-4-1-5-11-23)31-22-24-12-6-2-7-13-24/h1-15,17-20,28H,16,21-22H2
InChIKeyNYPKPPLSLXAZLA-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.81
Rot. Bonds9

About phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone

phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone (PubChem CID 102460465) has the molecular formula C29H26O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone
PubChem CID102460465
Molecular FormulaC29H26O2
Molecular Weight406.53 g/mol
Exact Mass406.19
IUPAC Namephenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(C(CCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C29H26O2/c30-29(26-14-8-3-9-15-26)27-19-17-25(18-20-27)28(21-16-23-10-4-1-5-11-23)31-22-24-12-6-2-7-13-24/h1-15,17-20,28H,16,21-22H2
InChIKeyNYPKPPLSLXAZLA-UHFFFAOYSA-N
XLogP6.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(2-methoxy-2-phenylethoxy)-3-phenylpropyl]phenyl]-phenylmethanone
CID 90453606
[4-[[5-[(4-benzoylphenyl)methoxy-phenylmethoxy]pentoxy-phenylmethoxy]methyl]phenyl]-phenylmethanone
CID 153324958
6-(3-phenyl-1-phenylmethoxypropyl)quinoline
CID 102460471
[4-(hydroperoxymethyl)phenyl]-phenylmethanone
CID 140726155
1,3-diphenylpropyl carbamate
CID 154100927
[(1S)-1,3-diphenylpropoxy]methanethioic S-acid
CID 146180519
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
1,3-dimethyl-2-(3-phenyl-1-phenylmethoxypropyl)benzene
CID 154712363
[1-(4-acetylphenyl)-4-phenylbutyl] benzoate
CID 102495089
[1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate
CID 102495090
2-[5-(4-benzoylphenyl)pentoxy]-1,3-diphenylpropane-1,3-dione
CID 175330596
2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)-3-phenylmethoxypropyl]phenoxy]-2-methylpropanoic acid
CID 24780973

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone?
The IUPAC name of phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone (CID 102460465) is phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone?
The canonical SMILES for phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone is O=C(c1ccccc1)c1ccc(C(CCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone?
The InChIKey is NYPKPPLSLXAZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O2/c30-29(26-14-8-3-9-15-26)27-19-17-25(18-20-27)28(21-16-23-10-4-1-5-11-23)31-22-24-12-6-2-7-13-24/h1-15,17-20,28H,16,21-22H2.
What are the key properties of phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone?
phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone has a molecular weight of 406.53 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone is sourced from PubChem (CID 102460465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).