(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol

C10H12O — CID 105429222

IUPAC(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
SMILESCc1ccc2c(c1)CC2CO
InChIInChI=1S/C10H12O/c1-7-2-3-10-8(4-7)5-9(10)6-11/h2-4,9,11H,5-6H2,1H3
InChIKeyVQNJBIZCZIWPIG-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.63
Rot. Bonds1

About (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol

(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol (PubChem CID 105429222) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol.

Molecular Properties

Compound Name(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
PubChem CID105429222
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
SMILESCc1ccc2c(c1)CC2CO
InChIInChI=1S/C10H12O/c1-7-2-3-10-8(4-7)5-9(10)6-11/h2-4,9,11H,5-6H2,1H3
InChIKeyVQNJBIZCZIWPIG-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol?
The IUPAC name of (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol (CID 105429222) is (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol.
What is the SMILES notation for (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol?
The canonical SMILES for (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol is Cc1ccc2c(c1)CC2CO.
What is the InChIKey of (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol?
The InChIKey is VQNJBIZCZIWPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-2-3-10-8(4-7)5-9(10)6-11/h2-4,9,11H,5-6H2,1H3.
What are the key properties of (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol?
(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol has a molecular weight of 148.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol is sourced from PubChem (CID 105429222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).