[2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone

C29H34O2 — CID 22321239

IUPAC[2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone
SMILESCCC(C)(C)c1cc(-c2ccccc2C(=O)c2ccccc2)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C29H34O2/c1-7-28(3,4)21-18-24(27(31)25(19-21)29(5,6)8-2)22-16-12-13-17-23(22)26(30)20-14-10-9-11-15-20/h9-19,31H,7-8H2,1-6H3
InChIKeyGRZKIBZOPZBLHW-UHFFFAOYSA-N
MW414.59 g/mol
LogP7.67
Rot. Bonds7

About [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone

[2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone (PubChem CID 22321239) has the molecular formula C29H34O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone
PubChem CID22321239
Molecular FormulaC29H34O2
Molecular Weight414.59 g/mol
Exact Mass414.26
IUPAC Name[2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone
SMILESCCC(C)(C)c1cc(-c2ccccc2C(=O)c2ccccc2)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C29H34O2/c1-7-28(3,4)21-18-24(27(31)25(19-21)29(5,6)8-2)22-16-12-13-17-23(22)26(30)20-14-10-9-11-15-20/h9-19,31H,7-8H2,1-6H3
InChIKeyGRZKIBZOPZBLHW-UHFFFAOYSA-N
XLogP7.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-benzoyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzoic acid
CID 139838992
2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol
CID 150200009
[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670
[2-[5-chloro-2-(3,5-ditert-butyl-2-hydroxyphenyl)benzotriazol-4-yl]phenyl]-phenylmethanone
CID 151210266
(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 81481916
bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol);zirconium
CID 87129662
(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 82870554
1-[4-(2-methylbutan-2-yl)phenyl]-2-phenylethanone
CID 66258775
1,1-bis[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethyl prop-2-enoate
CID 57052760
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
[2-(2-hydroxypropan-2-yl)phenyl]-phenylmethanone
CID 15254692

Frequently Asked Questions

What is the IUPAC name of [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone (CID 22321239) is [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone is CCC(C)(C)c1cc(-c2ccccc2C(=O)c2ccccc2)c(O)c(C(C)(C)CC)c1.
What is the InChIKey of [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone?
The InChIKey is GRZKIBZOPZBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O2/c1-7-28(3,4)21-18-24(27(31)25(19-21)29(5,6)8-2)22-16-12-13-17-23(22)26(30)20-14-10-9-11-15-20/h9-19,31H,7-8H2,1-6H3.
What are the key properties of [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone?
[2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone has a molecular weight of 414.59 g/mol, XLogP of 7.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 22321239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).