cyclohexyl(phenylmethoxy)methanol

C14H20O2 — CID 54334195

IUPACcyclohexyl(phenylmethoxy)methanol
SMILESOC(OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11H2
InChIKeyNIBQQYNKAJTOBG-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.10
Rot. Bonds4

About cyclohexyl(phenylmethoxy)methanol

cyclohexyl(phenylmethoxy)methanol (PubChem CID 54334195) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is cyclohexyl(phenylmethoxy)methanol.

Molecular Properties

Compound Namecyclohexyl(phenylmethoxy)methanol
PubChem CID54334195
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namecyclohexyl(phenylmethoxy)methanol
SMILESOC(OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11H2
InChIKeyNIBQQYNKAJTOBG-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[hydroxy(phenylmethoxy)methyl]cyclobutan-1-ol
CID 137373862
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402
(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile
CID 102256914
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol
CID 10381299
(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol
CID 11231189
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(phenylmethoxy)methanol?
The IUPAC name of cyclohexyl(phenylmethoxy)methanol (CID 54334195) is cyclohexyl(phenylmethoxy)methanol.
What is the SMILES notation for cyclohexyl(phenylmethoxy)methanol?
The canonical SMILES for cyclohexyl(phenylmethoxy)methanol is OC(OCc1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl(phenylmethoxy)methanol?
The InChIKey is NIBQQYNKAJTOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11H2.
What are the key properties of cyclohexyl(phenylmethoxy)methanol?
cyclohexyl(phenylmethoxy)methanol has a molecular weight of 220.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(phenylmethoxy)methanol is sourced from PubChem (CID 54334195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).