2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol

C18H28O2 — CID 63406912

IUPAC2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol
SMILESCOc1ccc(C)cc1C1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C18H28O2/c1-13-9-10-15(20-5)14(12-13)18(19)11-7-6-8-16(18)17(2,3)4/h9-10,12,16,19H,6-8,11H2,1-5H3
InChIKeyGXSGDKBXZFQYGG-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.43
Rot. Bonds2

About 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol

2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol (PubChem CID 63406912) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol
PubChem CID63406912
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol
SMILESCOc1ccc(C)cc1C1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C18H28O2/c1-13-9-10-15(20-5)14(12-13)18(19)11-7-6-8-16(18)17(2,3)4/h9-10,12,16,19H,6-8,11H2,1-5H3
InChIKeyGXSGDKBXZFQYGG-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol (CID 63406912) is 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol is COc1ccc(C)cc1C1(O)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol?
The InChIKey is GXSGDKBXZFQYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13-9-10-15(20-5)14(12-13)18(19)11-7-6-8-16(18)17(2,3)4/h9-10,12,16,19H,6-8,11H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol?
2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 63406912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).