(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol

C16H24O2 — CID 64749184

IUPAC(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
SMILESCCOc1cccc(C(O)C2CCC(C)CC2)c1
InChIInChI=1S/C16H24O2/c1-3-18-15-6-4-5-14(11-15)16(17)13-9-7-12(2)8-10-13/h4-6,11-13,16-17H,3,7-10H2,1-2H3
InChIKeyWLHKDLZMZVKVDT-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.94
Rot. Bonds4

About (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol

(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol (PubChem CID 64749184) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
PubChem CID64749184
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
SMILESCCOc1cccc(C(O)C2CCC(C)CC2)c1
InChIInChI=1S/C16H24O2/c1-3-18-15-6-4-5-14(11-15)16(17)13-9-7-12(2)8-10-13/h4-6,11-13,16-17H,3,7-10H2,1-2H3
InChIKeyWLHKDLZMZVKVDT-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol?
The IUPAC name of (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol (CID 64749184) is (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol.
What is the SMILES notation for (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol?
The canonical SMILES for (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol is CCOc1cccc(C(O)C2CCC(C)CC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol?
The InChIKey is WLHKDLZMZVKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-18-15-6-4-5-14(11-15)16(17)13-9-7-12(2)8-10-13/h4-6,11-13,16-17H,3,7-10H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol?
(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol has a molecular weight of 248.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 64749184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).