1-cycloheptyl-3-(2-methylphenyl)propan-2-ol

C17H26O — CID 114458939

IUPAC1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(O)CC1CCCCCC1
InChIInChI=1S/C17H26O/c1-14-8-6-7-11-16(14)13-17(18)12-15-9-4-2-3-5-10-15/h6-8,11,15,17-18H,2-5,9-10,12-13H2,1H3
InChIKeyOPYHLHQNQIHZQM-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.26
Rot. Bonds4

About 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol

1-cycloheptyl-3-(2-methylphenyl)propan-2-ol (PubChem CID 114458939) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
PubChem CID114458939
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(O)CC1CCCCCC1
InChIInChI=1S/C17H26O/c1-14-8-6-7-11-16(14)13-17(18)12-15-9-4-2-3-5-10-15/h6-8,11,15,17-18H,2-5,9-10,12-13H2,1H3
InChIKeyOPYHLHQNQIHZQM-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
CID 63543365
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
CID 63542153
[1-cyclobutyl-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105208383
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene
CID 55224451
1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
CID 115812509
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
2-(2-methylphenyl)-1-(oxan-3-yl)ethanol
CID 63013338
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
2-cyclopentyl-1-(2-ethylphenyl)ethanol
CID 65150347

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol?
The IUPAC name of 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol (CID 114458939) is 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol is Cc1ccccc1CC(O)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol?
The InChIKey is OPYHLHQNQIHZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-14-8-6-7-11-16(14)13-17(18)12-15-9-4-2-3-5-10-15/h6-8,11,15,17-18H,2-5,9-10,12-13H2,1H3.
What are the key properties of 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol?
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-methylphenyl)propan-2-ol is sourced from PubChem (CID 114458939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).