3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol

C9H10O2 — CID 174827553

IUPAC3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol
SMILESOC(O)c1ccc2c(c1)CC2
InChIInChI=1S/C9H10O2/c10-9(11)8-4-2-6-1-3-7(6)5-8/h2,4-5,9-11H,1,3H2
InChIKeyZSAYJYRKYVXBNX-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.77
Rot. Bonds1

About 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol

3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol (PubChem CID 174827553) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol.

Molecular Properties

Compound Name3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol
PubChem CID174827553
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol
SMILESOC(O)c1ccc2c(c1)CC2
InChIInChI=1S/C9H10O2/c10-9(11)8-4-2-6-1-3-7(6)5-8/h2,4-5,9-11H,1,3H2
InChIKeyZSAYJYRKYVXBNX-UHFFFAOYSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
CID 169081091
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-ol
CID 121364184
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol?
The IUPAC name of 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol (CID 174827553) is 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol.
What is the SMILES notation for 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol?
The canonical SMILES for 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol is OC(O)c1ccc2c(c1)CC2.
What is the InChIKey of 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol?
The InChIKey is ZSAYJYRKYVXBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-9(11)8-4-2-6-1-3-7(6)5-8/h2,4-5,9-11H,1,3H2.
What are the key properties of 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol?
3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol has a molecular weight of 150.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol is sourced from PubChem (CID 174827553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).