2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol

C22H36O — CID 150844320

IUPAC2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol
SMILESCC(C)c1cc(C(C)C)c(C2CCC(O)C(C)C2)c(C(C)C)c1
InChIInChI=1S/C22H36O/c1-13(2)18-11-19(14(3)4)22(20(12-18)15(5)6)17-8-9-21(23)16(7)10-17/h11-17,21,23H,8-10H2,1-7H3
InChIKeyKOQYFEKWISHMHJ-UHFFFAOYSA-N
MW316.53 g/mol
LogP6.32
Rot. Bonds4

About 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol

2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol (PubChem CID 150844320) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol
PubChem CID150844320
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol
SMILESCC(C)c1cc(C(C)C)c(C2CCC(O)C(C)C2)c(C(C)C)c1
InChIInChI=1S/C22H36O/c1-13(2)18-11-19(14(3)4)22(20(12-18)15(5)6)17-8-9-21(23)16(7)10-17/h11-17,21,23H,8-10H2,1-7H3
InChIKeyKOQYFEKWISHMHJ-UHFFFAOYSA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
CID 172581179
[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol
CID 107181587
CID 23175245
CID 23175245
(7R,8R)-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
CID 11617702
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
bis[2,4,6-tri(propan-2-yl)phenyl]borinic acid
CID 139174643
N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline
CID 64732806
3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 64750729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol (CID 150844320) is 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol is CC(C)c1cc(C(C)C)c(C2CCC(O)C(C)C2)c(C(C)C)c1.
What is the InChIKey of 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol?
The InChIKey is KOQYFEKWISHMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O/c1-13(2)18-11-19(14(3)4)22(20(12-18)15(5)6)17-8-9-21(23)16(7)10-17/h11-17,21,23H,8-10H2,1-7H3.
What are the key properties of 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol?
2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol has a molecular weight of 316.53 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2,4,6-tri(propan-2-yl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 150844320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).