2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one

C24H26O2 — CID 144597189

IUPAC2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(CO)(c2ccccc2)C2C=CC=CC2)c(C)c1
InChIInChI=1S/C24H26O2/c1-17-14-18(2)22(19(3)15-17)23(26)24(16-25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-12,14-15,21,25H,13,16H2,1-3H3
InChIKeyRQMFDCNOEKBQRL-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.86
Rot. Bonds5

About 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one

2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 144597189) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID144597189
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(CO)(c2ccccc2)C2C=CC=CC2)c(C)c1
InChIInChI=1S/C24H26O2/c1-17-14-18(2)22(19(3)15-17)23(26)24(16-25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-12,14-15,21,25H,13,16H2,1-3H3
InChIKeyRQMFDCNOEKBQRL-UHFFFAOYSA-N
XLogP4.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one with MolForge

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Related Compounds

2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-cyclohexa-2,4-dien-1-yl-2-(hydroxymethyl)-4-methylpentanoic acid
CID 70627080
2,2-diphenyl-2-[(2,4,6-trimethylbenzoyl)amino]acetic acid
CID 12959116
oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium
CID 91323174
(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 13425598
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
cyclohexa-2,4-dien-1-yl-phenyl-piperidin-4-ylmethanol
CID 67987322
3-[[bis[(1R)-cyclohexa-2,4-dien-1-yl]-phenylmethyl]-(2-phosphanylpropyl)amino]-2-iodopropan-1-ol
CID 90179398
[12-[amino(hydroxy)phosphoryl]-2-cyclohexa-2,4-dien-1-yl-7-oxo-12-phenyltridecan-2-yl]phosphonamidic acid
CID 143079815
oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 174439247
1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one
CID 70951910
[2,5-bis(1-ethoxyethoxy)-4-[hydroxy(diphenyl)methyl]phenyl]-cyclohexa-2,4-dien-1-yl-phenylmethanol
CID 89324442

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one (CID 144597189) is 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)C(CO)(c2ccccc2)C2C=CC=CC2)c(C)c1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is RQMFDCNOEKBQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-17-14-18(2)22(19(3)15-17)23(26)24(16-25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-12,14-15,21,25H,13,16H2,1-3H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one?
2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 346.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-3-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 144597189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).