6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one

C8H7ClO2 — CID 130028722

IUPAC6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC1=C(Cl)C2C=CC(=O)C12
InChIInChI=1S/C8H7ClO2/c1-11-8-6-4(7(8)9)2-3-5(6)10/h2-4,6H,1H3
InChIKeyUEQTYLQUEYWTKK-UHFFFAOYSA-N
MW170.59 g/mol
LogP1.47
Rot. Bonds1

About 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one

6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 130028722) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID130028722
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC1=C(Cl)C2C=CC(=O)C12
InChIInChI=1S/C8H7ClO2/c1-11-8-6-4(7(8)9)2-3-5(6)10/h2-4,6H,1H3
InChIKeyUEQTYLQUEYWTKK-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577165
7-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936376
7-Ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 45090853
7-(2-Methylbutoxy)bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 85778934
7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 101012189
7-Propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 101069563
(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577164
(1R,5R)-7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577167
(1S,5S)-7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577169
7-Methoxy-5-methylbicyclo[3.2.0]hepta-3,6-dien-2-one
CID 130029591

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one (CID 130028722) is 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one is COC1=C(Cl)C2C=CC(=O)C12.
What is the InChIKey of 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is UEQTYLQUEYWTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c1-11-8-6-4(7(8)9)2-3-5(6)10/h2-4,6H,1H3.
What are the key properties of 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 170.59 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 130028722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).