[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone

C29H30O3 — CID 121433859

IUPAC[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2C(=O)c2ccccc2C2(O)CCCCC2)c(C)c1
InChIInChI=1S/C29H30O3/c1-19-17-20(2)26(21(3)18-19)28(31)23-12-6-5-11-22(23)27(30)24-13-7-8-14-25(24)29(32)15-9-4-10-16-29/h5-8,11-14,17-18,32H,4,9-10,15-16H2,1-3H3
InChIKeyVEARZHUTCSWOLX-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.23
Rot. Bonds5

About [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone

[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone (PubChem CID 121433859) has the molecular formula C29H30O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone
PubChem CID121433859
Molecular FormulaC29H30O3
Molecular Weight426.56 g/mol
Exact Mass426.22
IUPAC Name[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2C(=O)c2ccccc2C2(O)CCCCC2)c(C)c1
InChIInChI=1S/C29H30O3/c1-19-17-20(2)26(21(3)18-19)28(31)23-12-6-5-11-22(23)27(30)24-13-7-8-14-25(24)29(32)15-9-4-10-16-29/h5-8,11-14,17-18,32H,4,9-10,15-16H2,1-3H3
InChIKeyVEARZHUTCSWOLX-UHFFFAOYSA-N
XLogP6.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;[2-(1-hydroxycyclohexyl)phenyl]-phenylmethanone
CID 175439396
bis[2-(1-hydroxycyclohexyl)-3,4-bis(2,4,6-trimethylbenzoyl)phenyl]methanone
CID 167438449
2-(1-hydroxycyclohexyl)benzaldehyde;[3-phosphoroso-2-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 87842199
[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone
CID 141436195
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297
lithium;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone
CID 150663954
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
2-(1-hydroxycyclohexyl)-6-methylphenol
CID 117104328

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone?
The IUPAC name of [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone (CID 121433859) is [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone.
What is the SMILES notation for [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone?
The canonical SMILES for [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone is Cc1cc(C)c(C(=O)c2ccccc2C(=O)c2ccccc2C2(O)CCCCC2)c(C)c1.
What is the InChIKey of [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone?
The InChIKey is VEARZHUTCSWOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O3/c1-19-17-20(2)26(21(3)18-19)28(31)23-12-6-5-11-22(23)27(30)24-13-7-8-14-25(24)29(32)15-9-4-10-16-29/h5-8,11-14,17-18,32H,4,9-10,15-16H2,1-3H3.
What are the key properties of [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone?
[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone has a molecular weight of 426.56 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone is sourced from PubChem (CID 121433859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).