1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C18H28O3 — CID 63409211

IUPAC1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CC(C)CCC2C(C)C)c1
InChIInChI=1S/C18H28O3/c1-12(2)15-8-6-13(3)11-18(15,19)16-10-14(20-4)7-9-17(16)21-5/h7,9-10,12-13,15,19H,6,8,11H2,1-5H3
InChIKeyLHOJIZISVYRBHU-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.98
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 63409211) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID63409211
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CC(C)CCC2C(C)C)c1
InChIInChI=1S/C18H28O3/c1-12(2)15-8-6-13(3)11-18(15,19)16-10-14(20-4)7-9-17(16)21-5/h7,9-10,12-13,15,19H,6,8,11H2,1-5H3
InChIKeyLHOJIZISVYRBHU-UHFFFAOYSA-N
XLogP3.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 63409211) is 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is COc1ccc(OC)c(C2(O)CC(C)CCC2C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is LHOJIZISVYRBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-12(2)15-8-6-13(3)11-18(15,19)16-10-14(20-4)7-9-17(16)21-5/h7,9-10,12-13,15,19H,6,8,11H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63409211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).