4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol

C16H24O2 — CID 79423001

IUPAC4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C16H24O2/c1-3-12-6-9-16(17)14(10-12)11-13-4-7-15(18-2)8-5-13/h4-5,7-8,12,14,16-17H,3,6,9-11H2,1-2H3
InChIKeySJMZRGHKBUECQQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.42
Rot. Bonds4

About 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol

4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 79423001) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID79423001
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C16H24O2/c1-3-12-6-9-16(17)14(10-12)11-13-4-7-15(18-2)8-5-13/h4-5,7-8,12,14,16-17H,3,6,9-11H2,1-2H3
InChIKeySJMZRGHKBUECQQ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 79422404
4-ethyl-2-[(4-ethylphenyl)methyl]cyclohexan-1-ol
CID 63461440
4-ethyl-2-(pyridin-4-ylmethyl)cyclohexan-1-ol
CID 79422812
2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422834
4-ethyl-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 82895883
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol
CID 81159014
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 62161726
4-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420139
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
(3S,5S)-3,5-bis[(4-methoxyphenyl)methyl]oxan-4-ol
CID 95987412

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol (CID 79423001) is 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol is CCC1CCC(O)C(Cc2ccc(OC)cc2)C1.
What is the InChIKey of 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is SJMZRGHKBUECQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-12-6-9-16(17)14(10-12)11-13-4-7-15(18-2)8-5-13/h4-5,7-8,12,14,16-17H,3,6,9-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol?
4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79423001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).