7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one

C13H12O3 — CID 10932845

IUPAC7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one
SMILESCOc1ccc2c(c1)OCC1CC(=O)C=C21
InChIInChI=1S/C13H12O3/c1-15-10-2-3-11-12-5-9(14)4-8(12)7-16-13(11)6-10/h2-3,5-6,8H,4,7H2,1H3
InChIKeySRMVCMXBYUFFGQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.06
Rot. Bonds1

About 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one

7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one (PubChem CID 10932845) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one
PubChem CID10932845
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one
SMILESCOc1ccc2c(c1)OCC1CC(=O)C=C21
InChIInChI=1S/C13H12O3/c1-15-10-2-3-11-12-5-9(14)4-8(12)7-16-13(11)6-10/h2-3,5-6,8H,4,7H2,1H3
InChIKeySRMVCMXBYUFFGQ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
(13S)-3-methoxy-11,12,13,17-tetrahydrocyclopenta[a]phenanthren-16-one
CID 98511136
6-methoxy-1-benzofuran-3-one
CID 585368
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 25178059
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
CID 162417326
S-(7-methoxy-4-oxo-2,3-dihydrochromen-3-yl) 2,2,2-trifluoroethanethioate
CID 57178711
7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 22033214
7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277925

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one?
The IUPAC name of 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one (CID 10932845) is 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one.
What is the SMILES notation for 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one?
The canonical SMILES for 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one is COc1ccc2c(c1)OCC1CC(=O)C=C21.
What is the InChIKey of 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one?
The InChIKey is SRMVCMXBYUFFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-10-2-3-11-12-5-9(14)4-8(12)7-16-13(11)6-10/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one?
7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one is sourced from PubChem (CID 10932845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).