2-(cyclohexylmethoxy)-1-phenylbutan-1-ol

C17H26O2 — CID 62383401

IUPAC2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
SMILESCCC(OCC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-2-16(17(18)15-11-7-4-8-12-15)19-13-14-9-5-3-6-10-14/h4,7-8,11-12,14,16-18H,2-3,5-6,9-10,13H2,1H3
InChIKeyNUAIFWMNMZLUMD-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.10
Rot. Bonds6

About 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol

2-(cyclohexylmethoxy)-1-phenylbutan-1-ol (PubChem CID 62383401) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
PubChem CID62383401
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
SMILESCCC(OCC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-2-16(17(18)15-11-7-4-8-12-15)19-13-14-9-5-3-6-10-14/h4,7-8,11-12,14,16-18H,2-3,5-6,9-10,13H2,1H3
InChIKeyNUAIFWMNMZLUMD-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
2-(cyclohexylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 62383408
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
[1-(cyclohexylmethylperoxy)-2-methylbutyl]benzene
CID 58031035
1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
[cyclohexyl(cyclopropylmethoxy)methyl]benzene
CID 145412407
2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 66322023
2-(cyclohexylamino)-1-phenylbutan-1-ol
CID 82312145
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol?
The IUPAC name of 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol (CID 62383401) is 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol?
The canonical SMILES for 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol is CCC(OCC1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol?
The InChIKey is NUAIFWMNMZLUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-16(17(18)15-11-7-4-8-12-15)19-13-14-9-5-3-6-10-14/h4,7-8,11-12,14,16-18H,2-3,5-6,9-10,13H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol?
2-(cyclohexylmethoxy)-1-phenylbutan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-1-phenylbutan-1-ol is sourced from PubChem (CID 62383401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).