[4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone

C31H28O4 — CID 134502768

IUPAC[4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone
SMILESCCC(CC)c1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccccc4O)cc3)cc2)cc1
InChIInChI=1S/C31H28O4/c1-3-21(4-2)22-9-11-23(12-10-22)30(33)24-13-15-25(16-14-24)31(34)26-17-19-27(20-18-26)35-29-8-6-5-7-28(29)32/h5-21,32H,3-4H2,1-2H3
InChIKeyMJCTZJDSQIMJFX-UHFFFAOYSA-N
MW464.56 g/mol
LogP7.55
Rot. Bonds9

About [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone

[4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone (PubChem CID 134502768) has the molecular formula C31H28O4 and a molecular weight of 464.56 g/mol. Its IUPAC name is [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone
PubChem CID134502768
Molecular FormulaC31H28O4
Molecular Weight464.56 g/mol
Exact Mass464.20
IUPAC Name[4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone
SMILESCCC(CC)c1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccccc4O)cc3)cc2)cc1
InChIInChI=1S/C31H28O4/c1-3-21(4-2)22-9-11-23(12-10-22)30(33)24-13-15-25(16-14-24)31(34)26-17-19-27(20-18-26)35-29-8-6-5-7-28(29)32/h5-21,32H,3-4H2,1-2H3
InChIKeyMJCTZJDSQIMJFX-UHFFFAOYSA-N
XLogP7.55
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
N-methyl-4-(4-pentan-3-ylphenoxy)benzamide
CID 142415379
2-(4-methoxyphenoxy)phenol
CID 54145402
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
2-(4-benzoylphenyl)butanoic acid
CID 22621594
[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59847042
4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
CID 103960520
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 91388813
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone?
The IUPAC name of [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone (CID 134502768) is [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone.
What is the SMILES notation for [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone?
The canonical SMILES for [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone is CCC(CC)c1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccccc4O)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone?
The InChIKey is MJCTZJDSQIMJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O4/c1-3-21(4-2)22-9-11-23(12-10-22)30(33)24-13-15-25(16-14-24)31(34)26-17-19-27(20-18-26)35-29-8-6-5-7-28(29)32/h5-21,32H,3-4H2,1-2H3.
What are the key properties of [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone?
[4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone has a molecular weight of 464.56 g/mol, XLogP of 7.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-hydroxyphenoxy)benzoyl]phenyl]-(4-pentan-3-ylphenyl)methanone is sourced from PubChem (CID 134502768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).