(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone

C16H22O2 — CID 116920159

IUPAC(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCC(O)CC2)c(C)c1
InChIInChI=1S/C16H22O2/c1-10-8-11(2)15(12(3)9-10)16(18)13-4-6-14(17)7-5-13/h8-9,13-14,17H,4-7H2,1-3H3
InChIKeyLVQUUUBTRCXKQX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.35
Rot. Bonds2

About (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone

(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 116920159) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID116920159
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCC(O)CC2)c(C)c1
InChIInChI=1S/C16H22O2/c1-10-8-11(2)15(12(3)9-10)16(18)13-4-6-14(17)7-5-13/h8-9,13-14,17H,4-7H2,1-3H3
InChIKeyLVQUUUBTRCXKQX-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
oxolan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 43159907
oxan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 62214214
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
CID 43159909
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 98019521
thian-2-yl-(2,4,6-trimethylphenyl)methanone
CID 80594784
cyclobutyl-(2,6-dimethylphenyl)methanone
CID 24724132
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
CID 106880808
4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol
CID 117034461
(E)-3-piperidin-4-yl-3-(2,4,6-trimethylphenyl)prop-2-enoic acid
CID 82488852

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone (CID 116920159) is (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCC(O)CC2)c(C)c1.
What is the InChIKey of (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is LVQUUUBTRCXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-10-8-11(2)15(12(3)9-10)16(18)13-4-6-14(17)7-5-13/h8-9,13-14,17H,4-7H2,1-3H3.
What are the key properties of (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone?
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 116920159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).