3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol

C18H28O2 — CID 64750920

IUPAC3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
SMILESCc1cc(OC2C(C)CC(C)CC2O)ccc1C(C)C
InChIInChI=1S/C18H28O2/c1-11(2)16-7-6-15(10-13(16)4)20-18-14(5)8-12(3)9-17(18)19/h6-7,10-12,14,17-19H,8-9H2,1-5H3
InChIKeyMQUDFKFPEGWQQW-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.29
Rot. Bonds3

About 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol

3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol (PubChem CID 64750920) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
PubChem CID64750920
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
SMILESCc1cc(OC2C(C)CC(C)CC2O)ccc1C(C)C
InChIInChI=1S/C18H28O2/c1-11(2)16-7-6-15(10-13(16)4)20-18-14(5)8-12(3)9-17(18)19/h6-7,10-12,14,17-19H,8-9H2,1-5H3
InChIKeyMQUDFKFPEGWQQW-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 64750729
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618028
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
CID 63472880
4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 63472705
2-(4-chloro-3-methylphenoxy)-3,5-dimethylcyclohexan-1-amine
CID 64751015
3-bromo-1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octane
CID 66344195
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 42443332
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one
CID 79619017
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943205
[3-methyl-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788406
1-(4-hydroxypiperidin-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 110895183

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol (CID 64750920) is 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol is Cc1cc(OC2C(C)CC(C)CC2O)ccc1C(C)C.
What is the InChIKey of 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol?
The InChIKey is MQUDFKFPEGWQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-11(2)16-7-6-15(10-13(16)4)20-18-14(5)8-12(3)9-17(18)19/h6-7,10-12,14,17-19H,8-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol?
3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 64750920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).