[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone

C33H32O4 — CID 144556494

IUPAC[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone
SMILESCCCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H32O4/c1-5-22-33(2,3)27-14-6-23(7-15-27)31(34)25-10-18-29(19-11-25)37-30-20-12-26(13-21-30)32(35)24-8-16-28(36-4)17-9-24/h6-21H,5,22H2,1-4H3
InChIKeyFUKCURJMHUSQQF-UHFFFAOYSA-N
MW492.62 g/mol
LogP8.03
Rot. Bonds10

About [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone

[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone (PubChem CID 144556494) has the molecular formula C33H32O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone
PubChem CID144556494
Molecular FormulaC33H32O4
Molecular Weight492.62 g/mol
Exact Mass492.23
IUPAC Name[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone
SMILESCCCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H32O4/c1-5-22-33(2,3)27-14-6-23(7-15-27)31(34)25-10-18-29(19-11-25)37-30-20-12-26(13-21-30)32(35)24-8-16-28(36-4)17-9-24/h6-21H,5,22H2,1-4H3
InChIKeyFUKCURJMHUSQQF-UHFFFAOYSA-N
XLogP8.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone?
The IUPAC name of [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone (CID 144556494) is [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone.
What is the SMILES notation for [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone?
The canonical SMILES for [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone is CCCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone?
The InChIKey is FUKCURJMHUSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O4/c1-5-22-33(2,3)27-14-6-23(7-15-27)31(34)25-10-18-29(19-11-25)37-30-20-12-26(13-21-30)32(35)24-8-16-28(36-4)17-9-24/h6-21H,5,22H2,1-4H3.
What are the key properties of [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone?
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone has a molecular weight of 492.62 g/mol, XLogP of 8.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone is sourced from PubChem (CID 144556494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).