5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol

C13H18O2 — CID 106677838

IUPAC5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol
SMILESOCCCC(O)CC1Cc2ccccc21
InChIInChI=1S/C13H18O2/c14-7-3-5-12(15)9-11-8-10-4-1-2-6-13(10)11/h1-2,4,6,11-12,14-15H,3,5,7-9H2
InChIKeyZXRXOBZYPJMTDO-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.85
Rot. Bonds5

About 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol

5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol (PubChem CID 106677838) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol.

Molecular Properties

Compound Name5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol
PubChem CID106677838
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol
SMILESOCCCC(O)CC1Cc2ccccc21
InChIInChI=1S/C13H18O2/c14-7-3-5-12(15)9-11-8-10-4-1-2-6-13(10)11/h1-2,4,6,11-12,14-15H,3,5,7-9H2
InChIKeyZXRXOBZYPJMTDO-UHFFFAOYSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol 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)pent-4-en-2-ol
CID 116659873
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-ylbutan-2-ol
CID 105109974
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927663
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylsulfanylpropan-2-ol
CID 66419569
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 66417614
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
CID 115816723
3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol
CID 66395652
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
CID 79413170
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79054173
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
CID 107978498
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789

Frequently Asked Questions

What is the IUPAC name of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol?
The IUPAC name of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol (CID 106677838) is 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol.
What is the SMILES notation for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol?
The canonical SMILES for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol is OCCCC(O)CC1Cc2ccccc21.
What is the InChIKey of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol?
The InChIKey is ZXRXOBZYPJMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-7-3-5-12(15)9-11-8-10-4-1-2-6-13(10)11/h1-2,4,6,11-12,14-15H,3,5,7-9H2.
What are the key properties of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol?
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol has a molecular weight of 206.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol is sourced from PubChem (CID 106677838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).