1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol

C16H24O2 — CID 58097643

IUPAC1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H24O2/c1-2-16(17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h6,9-11,13,16-17H,2-5,7-8,12H2,1H3
InChIKeyVELZLRVQVWWSAU-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol

1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol (PubChem CID 58097643) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
PubChem CID58097643
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H24O2/c1-2-16(17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h6,9-11,13,16-17H,2-5,7-8,12H2,1H3
InChIKeyVELZLRVQVWWSAU-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 142795569
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol
CID 87693184
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
CID 157299159
(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
CID 87354283
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
CID 172583865
CID 172583865
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol (CID 58097643) is 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol is CCC(O)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol?
The InChIKey is VELZLRVQVWWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-16(17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h6,9-11,13,16-17H,2-5,7-8,12H2,1H3.
What are the key properties of 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol?
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 58097643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).