1,3-dihydrobenzo[c]chromen-2-one

C13H10O2 — CID 54257700

IUPAC1,3-dihydrobenzo[c]chromen-2-one
SMILESO=C1CC=C2OC=c3ccccc3=C2C1
InChIInChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-4,6,8H,5,7H2
InChIKeyRBGFEJHGCCMLSN-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.85
Rot. Bonds

About 1,3-dihydrobenzo[c]chromen-2-one

1,3-dihydrobenzo[c]chromen-2-one (PubChem CID 54257700) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1,3-dihydrobenzo[c]chromen-2-one.

Molecular Properties

Compound Name1,3-dihydrobenzo[c]chromen-2-one
PubChem CID54257700
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name1,3-dihydrobenzo[c]chromen-2-one
SMILESO=C1CC=C2OC=c3ccccc3=C2C1
InChIInChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-4,6,8H,5,7H2
InChIKeyRBGFEJHGCCMLSN-UHFFFAOYSA-N
XLogP0.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141240290
4h-Chromen-5(6h)-one
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5,7-Dihydrochromen-6-one
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6,7-dihydro-5H-chromene
CID 20547016
5,7-dihydro-1H-cyclopenta[c]pyran-6-one
CID 21618791
11H-cyclohepta[c]isochromen-10-one
CID 54241957
1,4a-Dihydrobenzo[c]chromen-2-one
CID 57008757
3-(1,4-Dioxin-2-yl)cyclohex-2-en-1-one
CID 57166036
1,2,3,4,6,7-Hexahydrobenzo[c]chromen-8-one
CID 69154346
6,7-Dihydrochromen-5-one
CID 69503849
2,3-Dihydrobenzo[c]chromen-1-one
CID 88539583

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrobenzo[c]chromen-2-one?
The IUPAC name of 1,3-dihydrobenzo[c]chromen-2-one (CID 54257700) is 1,3-dihydrobenzo[c]chromen-2-one.
What is the SMILES notation for 1,3-dihydrobenzo[c]chromen-2-one?
The canonical SMILES for 1,3-dihydrobenzo[c]chromen-2-one is O=C1CC=C2OC=c3ccccc3=C2C1.
What is the InChIKey of 1,3-dihydrobenzo[c]chromen-2-one?
The InChIKey is RBGFEJHGCCMLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-4,6,8H,5,7H2.
What are the key properties of 1,3-dihydrobenzo[c]chromen-2-one?
1,3-dihydrobenzo[c]chromen-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrobenzo[c]chromen-2-one is sourced from PubChem (CID 54257700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).