1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol

C15H22O — CID 115816723

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CC1Cc2ccccc21
InChIInChI=1S/C15H22O/c1-3-11(4-2)15(16)10-13-9-12-7-5-6-8-14(12)13/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3
InChIKeyGRRAYXYQDJYLPO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.51
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol (PubChem CID 115816723) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
PubChem CID115816723
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CC1Cc2ccccc21
InChIInChI=1S/C15H22O/c1-3-11(4-2)15(16)10-13-9-12-7-5-6-8-14(12)13/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3
InChIKeyGRRAYXYQDJYLPO-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol with MolForge

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-yl]hydrazine
CID 105319265
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713215
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-4-methylpentan-2-ol
CID 116712060
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-hydroxypentan-2-one
CID 103453062
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanoic acid
CID 79425221
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethoxy-3-methylpentan-2-ol
CID 116752273
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine
CID 105319335
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pent-4-en-2-ol
CID 116659873
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol
CID 106677838
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
CID 79413170
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79067021

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol (CID 115816723) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol is CCC(CC)C(O)CC1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol?
The InChIKey is GRRAYXYQDJYLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-11(4-2)15(16)10-13-9-12-7-5-6-8-14(12)13/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol is sourced from PubChem (CID 115816723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).