4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol

C16H24O — CID 65085535

IUPAC4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2cccc(C)c2)CC1
InChIInChI=1S/C16H24O/c1-3-14-7-5-10-16(17,11-9-14)15-8-4-6-13(2)12-15/h4,6,8,12,14,17H,3,5,7,9-11H2,1-2H3
InChIKeyVXCSXOOWNJGENI-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.17
Rot. Bonds2

About 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol

4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol (PubChem CID 65085535) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol
PubChem CID65085535
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2cccc(C)c2)CC1
InChIInChI=1S/C16H24O/c1-3-14-7-5-10-16(17,11-9-14)15-8-4-6-13(2)12-15/h4,6,8,12,14,17H,3,5,7,9-11H2,1-2H3
InChIKeyVXCSXOOWNJGENI-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol (CID 65085535) is 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol is CCC1CCCC(O)(c2cccc(C)c2)CC1.
What is the InChIKey of 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol?
The InChIKey is VXCSXOOWNJGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-14-7-5-10-16(17,11-9-14)15-8-4-6-13(2)12-15/h4,6,8,12,14,17H,3,5,7,9-11H2,1-2H3.
What are the key properties of 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol?
4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol is sourced from PubChem (CID 65085535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).