4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one

C14H12O2 — CID 15686138

IUPAC4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one
SMILESCOc1ccccc2cc3c(c1-2)C(=O)CC3
InChIInChI=1S/C14H12O2/c1-16-12-5-3-2-4-9-8-10-6-7-11(15)13(10)14(9)12/h2-5,8H,6-7H2,1H3
InChIKeyYEFKIMCGFMPNOD-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.93
Rot. Bonds1

About 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one

4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one (PubChem CID 15686138) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one.

Molecular Properties

Compound Name4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one
PubChem CID15686138
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one
SMILESCOc1ccccc2cc3c(c1-2)C(=O)CC3
InChIInChI=1S/C14H12O2/c1-16-12-5-3-2-4-9-8-10-6-7-11(15)13(10)14(9)12/h2-5,8H,6-7H2,1H3
InChIKeyYEFKIMCGFMPNOD-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one
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CID 13146457
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one?
The IUPAC name of 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one (CID 15686138) is 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one.
What is the SMILES notation for 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one?
The canonical SMILES for 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one is COc1ccccc2cc3c(c1-2)C(=O)CC3.
What is the InChIKey of 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one?
The InChIKey is YEFKIMCGFMPNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-16-12-5-3-2-4-9-8-10-6-7-11(15)13(10)14(9)12/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one?
4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one has a molecular weight of 212.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one is sourced from PubChem (CID 15686138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).