1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol

C15H22O2 — CID 103028313

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C1Cc2ccccc21
InChIInChI=1S/C15H22O2/c1-15(2,17-3)9-8-14(16)13-10-11-6-4-5-7-12(11)13/h4-7,13-14,16H,8-10H2,1-3H3
InChIKeyHEUVHOHNKARXOK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028313) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028313
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C1Cc2ccccc21
InChIInChI=1S/C15H22O2/c1-15(2,17-3)9-8-14(16)13-10-11-6-4-5-7-12(11)13/h4-7,13-14,16H,8-10H2,1-3H3
InChIKeyHEUVHOHNKARXOK-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
CID 114191995
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylsulfonylbutan-1-ol
CID 64986957
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol
CID 106676147
1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol
CID 65410779
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008155
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64986723
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-2-amine
CID 103028488
1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol
CID 103028317
1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103032406

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol (CID 103028313) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is HEUVHOHNKARXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,17-3)9-8-14(16)13-10-11-6-4-5-7-12(11)13/h4-7,13-14,16H,8-10H2,1-3H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).