1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone

C33H27O2P — CID 11027319

IUPAC1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone
SMILESCOc1ccc(-c2cccc(C(=O)C=P(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C33H27O2P/c1-35-29-22-20-26(21-23-29)27-12-11-13-28(24-27)33(34)25-36(30-14-5-2-6-15-30,31-16-7-3-8-17-31)32-18-9-4-10-19-32/h2-25H,1H3
InChIKeyCNFSDBVBJRVQCN-UHFFFAOYSA-N
MW486.55 g/mol
LogP6.34
Rot. Bonds7

About 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone

1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone (PubChem CID 11027319) has the molecular formula C33H27O2P and a molecular weight of 486.55 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone
PubChem CID11027319
Molecular FormulaC33H27O2P
Molecular Weight486.55 g/mol
Exact Mass486.17
IUPAC Name1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone
SMILESCOc1ccc(-c2cccc(C(=O)C=P(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C33H27O2P/c1-35-29-22-20-26(21-23-29)27-12-11-13-28(24-27)33(34)25-36(30-14-5-2-6-15-30,31-16-7-3-8-17-31)32-18-9-4-10-19-32/h2-25H,1H3
InChIKeyCNFSDBVBJRVQCN-UHFFFAOYSA-N
XLogP6.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
CID 75034418
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
2-[[3-(4-methoxyphenyl)benzoyl]-prop-2-enylamino]benzoic acid
CID 5170533
2-methoxy-6-phenylnaphthalene
CID 11253308
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone?
The IUPAC name of 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone (CID 11027319) is 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone?
The canonical SMILES for 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone is COc1ccc(-c2cccc(C(=O)C=P(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone?
The InChIKey is CNFSDBVBJRVQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27O2P/c1-35-29-22-20-26(21-23-29)27-12-11-13-28(24-27)33(34)25-36(30-14-5-2-6-15-30,31-16-7-3-8-17-31)32-18-9-4-10-19-32/h2-25H,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone?
1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone has a molecular weight of 486.55 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone is sourced from PubChem (CID 11027319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).