2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol

C16H24O2 — CID 106873775

IUPAC2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
SMILESCOC1CCCCC1(O)CCCc1ccccc1
InChIInChI=1S/C16H24O2/c1-18-15-11-5-6-12-16(15,17)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15,17H,5-7,10-13H2,1H3
InChIKeyDIBAXKPJRGKFCC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.33
Rot. Bonds5

About 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol

2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol (PubChem CID 106873775) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
PubChem CID106873775
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
SMILESCOC1CCCCC1(O)CCCc1ccccc1
InChIInChI=1S/C16H24O2/c1-18-15-11-5-6-12-16(15,17)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15,17H,5-7,10-13H2,1H3
InChIKeyDIBAXKPJRGKFCC-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 106873575
1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873721
2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10274281
2-methoxy-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 106873705
1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855864
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
CID 106875208
1-(3-ethylphenyl)-2-methoxycyclohexan-1-ol
CID 106873797
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151218

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol?
The IUPAC name of 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol (CID 106873775) is 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol?
The canonical SMILES for 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol is COC1CCCCC1(O)CCCc1ccccc1.
What is the InChIKey of 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol?
The InChIKey is DIBAXKPJRGKFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-18-15-11-5-6-12-16(15,17)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15,17H,5-7,10-13H2,1H3.
What are the key properties of 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol?
2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 106873775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).