2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol

C17H24O — CID 79422811

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CC2Cc3ccccc32)C1
InChIInChI=1S/C17H24O/c1-2-12-7-8-17(18)15(9-12)11-14-10-13-5-3-4-6-16(13)14/h3-6,12,14-15,17-18H,2,7-11H2,1H3
InChIKeyQYKKOTXNNUSVGN-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.90
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol (PubChem CID 79422811) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol
PubChem CID79422811
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CC2Cc3ccccc32)C1
InChIInChI=1S/C17H24O/c1-2-12-7-8-17(18)15(9-12)11-14-10-13-5-3-4-6-16(13)14/h3-6,12,14-15,17-18H,2,7-11H2,1H3
InChIKeyQYKKOTXNNUSVGN-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol (CID 79422811) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CC2Cc3ccccc32)C1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol?
The InChIKey is QYKKOTXNNUSVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-2-12-7-8-17(18)15(9-12)11-14-10-13-5-3-4-6-16(13)14/h3-6,12,14-15,17-18H,2,7-11H2,1H3.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 79422811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).