ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone

C34H28O4 — CID 142280871

IUPACethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
SMILESCC.O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C32H22O4.C2H6/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28;1-2/h1-22H;1-2H3
InChIKeyCTWYHUJZXHPHFL-UHFFFAOYSA-N
MW500.59 g/mol
LogP8.76
Rot. Bonds8

About ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone

ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone (PubChem CID 142280871) has the molecular formula C34H28O4 and a molecular weight of 500.59 g/mol. Its IUPAC name is ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Nameethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
PubChem CID142280871
Molecular FormulaC34H28O4
Molecular Weight500.59 g/mol
Exact Mass500.20
IUPAC Nameethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
SMILESCC.O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C32H22O4.C2H6/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28;1-2/h1-22H;1-2H3
InChIKeyCTWYHUJZXHPHFL-UHFFFAOYSA-N
XLogP8.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
4-phenoxybenzoic acid;hydrochloride
CID 70385625
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The IUPAC name of ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone (CID 142280871) is ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone is CC.O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The InChIKey is CTWYHUJZXHPHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O4.C2H6/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28;1-2/h1-22H;1-2H3.
What are the key properties of ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone has a molecular weight of 500.59 g/mol, XLogP of 8.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 142280871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).