(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one

C13H12O3 — CID 139067197

IUPAC(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one
SMILESCOc1ccc2c(c1)C=C1C(=O)CC[C@H]1O2
InChIInChI=1S/C13H12O3/c1-15-9-2-4-12-8(6-9)7-10-11(14)3-5-13(10)16-12/h2,4,6-7,13H,3,5H2,1H3/t13-/m1/s1
InChIKeyDRFBDDSDEDBTFK-CYBMUJFWSA-N
MW216.24 g/mol
LogP2.20
Rot. Bonds1

About (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one

(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one (PubChem CID 139067197) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one.

Molecular Properties

Compound Name(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one
PubChem CID139067197
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one
SMILESCOc1ccc2c(c1)C=C1C(=O)CC[C@H]1O2
InChIInChI=1S/C13H12O3/c1-15-9-2-4-12-8(6-9)7-10-11(14)3-5-13(10)16-12/h2,4,6-7,13H,3,5H2,1H3/t13-/m1/s1
InChIKeyDRFBDDSDEDBTFK-CYBMUJFWSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one?
The IUPAC name of (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one (CID 139067197) is (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one.
What is the SMILES notation for (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one?
The canonical SMILES for (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one is COc1ccc2c(c1)C=C1C(=O)CC[C@H]1O2.
What is the InChIKey of (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one?
The InChIKey is DRFBDDSDEDBTFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-9-2-4-12-8(6-9)7-10-11(14)3-5-13(10)16-12/h2,4,6-7,13H,3,5H2,1H3/t13-/m1/s1.
What are the key properties of (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one?
(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one has a molecular weight of 216.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one is sourced from PubChem (CID 139067197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).