8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C15H15ClO3 — CID 886522

IUPAC8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCC(C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3
InChIInChI=1S/C15H15ClO3/c1-8(2)18-14-7-13-11(6-12(14)16)9-4-3-5-10(9)15(17)19-13/h6-8H,3-5H2,1-2H3
InChIKeyAXKFCVCCISFWBQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.72
Rot. Bonds2

About 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 886522) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID886522
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCC(C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3
InChIInChI=1S/C15H15ClO3/c1-8(2)18-14-7-13-11(6-12(14)16)9-4-3-5-10(9)15(17)19-13/h6-8H,3-5H2,1-2H3
InChIKeyAXKFCVCCISFWBQ-UHFFFAOYSA-N
XLogP3.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 886522) is 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is CC(C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3.
What is the InChIKey of 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is AXKFCVCCISFWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c1-8(2)18-14-7-13-11(6-12(14)16)9-4-3-5-10(9)15(17)19-13/h6-8H,3-5H2,1-2H3.
What are the key properties of 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 278.74 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 886522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).