2-(cyclohexylmethoxy)-1-phenylpropan-1-ol

C16H24O2 — CID 62383236

IUPAC2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
SMILESCC(OCC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-13(16(17)15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16-17H,2,4-5,8-9,12H2,1H3
InChIKeyVSRJPIOBCPSEQN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds5

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

2-(cyclohexylmethoxy)-1-phenylpropan-1-ol (PubChem CID 62383236) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
PubChem CID62383236
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
SMILESCC(OCC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C16H24O2/c1-13(16(17)15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16-17H,2,4-5,8-9,12H2,1H3
InChIKeyVSRJPIOBCPSEQN-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

2-(cyclohexylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 62383408
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 66322023
2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
CID 62383401
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
[cyclohexyl(cyclopropylmethoxy)methyl]benzene
CID 145412407
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene
CID 71242539
N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
[1-(cyclohexylmethylperoxy)-2-methylbutyl]benzene
CID 58031035

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol?
The IUPAC name of 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol (CID 62383236) is 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol is CC(OCC1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol?
The InChIKey is VSRJPIOBCPSEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13(16(17)15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16-17H,2,4-5,8-9,12H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol?
2-(cyclohexylmethoxy)-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 2-(cyclohexylmethoxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 62383236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).