1-(4-ethylphenyl)-4-methylcycloheptan-1-ol

C16H24O — CID 65085121

IUPAC1-(4-ethylphenyl)-4-methylcycloheptan-1-ol
SMILESCCc1ccc(C2(O)CCCC(C)CC2)cc1
InChIInChI=1S/C16H24O/c1-3-14-6-8-15(9-7-14)16(17)11-4-5-13(2)10-12-16/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyMUYXOWRYCLRBRO-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.04
Rot. Bonds2

About 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol

1-(4-ethylphenyl)-4-methylcycloheptan-1-ol (PubChem CID 65085121) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-methylcycloheptan-1-ol
PubChem CID65085121
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(4-ethylphenyl)-4-methylcycloheptan-1-ol
SMILESCCc1ccc(C2(O)CCCC(C)CC2)cc1
InChIInChI=1S/C16H24O/c1-3-14-6-8-15(9-7-14)16(17)11-4-5-13(2)10-12-16/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyMUYXOWRYCLRBRO-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol (CID 65085121) is 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol is CCc1ccc(C2(O)CCCC(C)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol?
The InChIKey is MUYXOWRYCLRBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-14-6-8-15(9-7-14)16(17)11-4-5-13(2)10-12-16/h6-9,13,17H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol?
1-(4-ethylphenyl)-4-methylcycloheptan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-methylcycloheptan-1-ol is sourced from PubChem (CID 65085121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).