2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid

C10H10O2 — CID 91882447

IUPAC2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC2
InChIInChI=1S/C10H10O2/c11-10(12)6-7-1-2-8-3-4-9(8)5-7/h1-2,5H,3-4,6H2,(H,11,12)
InChIKeySWLZWPFPDWNUMQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.41
Rot. Bonds2

About 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid

2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid (PubChem CID 91882447) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid.

Molecular Properties

Compound Name2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid
PubChem CID91882447
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC2
InChIInChI=1S/C10H10O2/c11-10(12)6-7-1-2-8-3-4-9(8)5-7/h1-2,5H,3-4,6H2,(H,11,12)
InChIKeySWLZWPFPDWNUMQ-UHFFFAOYSA-N
XLogP1.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid?
The IUPAC name of 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid (CID 91882447) is 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid.
What is the SMILES notation for 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid?
The canonical SMILES for 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid is O=C(O)Cc1ccc2c(c1)CC2.
What is the InChIKey of 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid?
The InChIKey is SWLZWPFPDWNUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-10(12)6-7-1-2-8-3-4-9(8)5-7/h1-2,5H,3-4,6H2,(H,11,12).
What are the key properties of 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid?
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid has a molecular weight of 162.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid is sourced from PubChem (CID 91882447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).