2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C18H28O3 — CID 63471772

IUPAC2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(Oc2ccc(OC)cc2)C1
InChIInChI=1S/C18H28O3/c1-5-18(2,3)13-6-11-16(19)17(12-13)21-15-9-7-14(20-4)8-10-15/h7-10,13,16-17,19H,5-6,11-12H2,1-4H3
InChIKeySWRARJOUOYRVPH-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.04
Rot. Bonds5

About 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 63471772) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID63471772
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(Oc2ccc(OC)cc2)C1
InChIInChI=1S/C18H28O3/c1-5-18(2,3)13-6-11-16(19)17(12-13)21-15-9-7-14(20-4)8-10-15/h7-10,13,16-17,19H,5-6,11-12H2,1-4H3
InChIKeySWRARJOUOYRVPH-UHFFFAOYSA-N
XLogP4.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 63471772) is 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(Oc2ccc(OC)cc2)C1.
What is the InChIKey of 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is SWRARJOUOYRVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-5-18(2,3)13-6-11-16(19)17(12-13)21-15-9-7-14(20-4)8-10-15/h7-10,13,16-17,19H,5-6,11-12H2,1-4H3.
What are the key properties of 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 63471772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).