4-methyl-1-(2-phenylethyl)cycloheptan-1-ol

C16H24O — CID 65085385

IUPAC4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
SMILESCC1CCCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C16H24O/c1-14-6-5-11-16(17,12-9-14)13-10-15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3
InChIKeyWRZBKADESCEKFV-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.95
Rot. Bonds3

About 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol

4-methyl-1-(2-phenylethyl)cycloheptan-1-ol (PubChem CID 65085385) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
PubChem CID65085385
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
SMILESCC1CCCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C16H24O/c1-14-6-5-11-16(17,12-9-14)13-10-15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3
InChIKeyWRZBKADESCEKFV-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151218
4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65084703
1-(3-phenylpropyl)-4-propylcycloheptan-1-ol
CID 65151413
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071
4-[2-(1-hydroxycyclobutyl)ethyl]phenol
CID 59527196
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
CID 65084707
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10157070
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
1-(2-phenylethyl)cyclopent-3-en-1-ol
CID 139771599

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol?
The IUPAC name of 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol (CID 65085385) is 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol.
What is the SMILES notation for 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol?
The canonical SMILES for 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol is CC1CCCC(O)(CCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol?
The InChIKey is WRZBKADESCEKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-14-6-5-11-16(17,12-9-14)13-10-15-7-3-2-4-8-15/h2-4,7-8,14,17H,5-6,9-13H2,1H3.
What are the key properties of 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol?
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-phenylethyl)cycloheptan-1-ol is sourced from PubChem (CID 65085385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).