1-cycloheptyl-3-phenoxypropan-1-ol

C16H24O2 — CID 82931193

IUPAC1-cycloheptyl-3-phenoxypropan-1-ol
SMILESOC(CCOc1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H24O2/c17-16(14-8-4-1-2-5-9-14)12-13-18-15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2
InChIKeySPZDBGDNPUZPDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.79
Rot. Bonds5

About 1-cycloheptyl-3-phenoxypropan-1-ol

1-cycloheptyl-3-phenoxypropan-1-ol (PubChem CID 82931193) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cycloheptyl-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-3-phenoxypropan-1-ol
PubChem CID82931193
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-cycloheptyl-3-phenoxypropan-1-ol
SMILESOC(CCOc1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H24O2/c17-16(14-8-4-1-2-5-9-14)12-13-18-15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2
InChIKeySPZDBGDNPUZPDZ-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
1-(3-methylcyclohexyl)-4-phenoxybutan-1-ol
CID 55155150
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
1,5-diphenoxypentan-3-ol
CID 5314309
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 112569843
1-cyclopropyl-2-(3-phenoxypropylamino)ethanol
CID 55172175
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-phenoxypropan-1-ol?
The IUPAC name of 1-cycloheptyl-3-phenoxypropan-1-ol (CID 82931193) is 1-cycloheptyl-3-phenoxypropan-1-ol.
What is the SMILES notation for 1-cycloheptyl-3-phenoxypropan-1-ol?
The canonical SMILES for 1-cycloheptyl-3-phenoxypropan-1-ol is OC(CCOc1ccccc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-phenoxypropan-1-ol?
The InChIKey is SPZDBGDNPUZPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-16(14-8-4-1-2-5-9-14)12-13-18-15-10-6-3-7-11-15/h3,6-7,10-11,14,16-17H,1-2,4-5,8-9,12-13H2.
What are the key properties of 1-cycloheptyl-3-phenoxypropan-1-ol?
1-cycloheptyl-3-phenoxypropan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-phenoxypropan-1-ol is sourced from PubChem (CID 82931193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).