3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol

C16H24O2 — CID 116693317

IUPAC3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol
SMILESCC1CCCCC1OCCC(O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-13-7-5-6-10-16(13)18-12-11-15(17)14-8-3-2-4-9-14/h2-4,8-9,13,15-17H,5-7,10-12H2,1H3
InChIKeyXSXMCBYDNAZFRO-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds5

About 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol

3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol (PubChem CID 116693317) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol
PubChem CID116693317
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol
SMILESCC1CCCCC1OCCC(O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-13-7-5-6-10-16(13)18-12-11-15(17)14-8-3-2-4-9-14/h2-4,8-9,13,15-17H,5-7,10-12H2,1H3
InChIKeyXSXMCBYDNAZFRO-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-[4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]-1-phenylethanol
CID 100838911
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829
2-[2-(2-methylcyclohexyl)oxyethyl]aniline
CID 62497263
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
ethane;3-(2-methylcyclopentyl)oxypropylbenzene
CID 145106111
2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol
CID 116695464
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
2-methyl-3-[[2-(2-methylcyclohexyl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 119219183
1-phenyl-3-trimethylsilyloxypropan-1-ol
CID 100965163
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol?
The IUPAC name of 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol (CID 116693317) is 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol?
The canonical SMILES for 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol is CC1CCCCC1OCCC(O)c1ccccc1.
What is the InChIKey of 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol?
The InChIKey is XSXMCBYDNAZFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13-7-5-6-10-16(13)18-12-11-15(17)14-8-3-2-4-9-14/h2-4,8-9,13,15-17H,5-7,10-12H2,1H3.
What are the key properties of 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol?
3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol is sourced from PubChem (CID 116693317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).