1,4a-dihydrobenzo[c]chromen-2-one

C13H10O2 — CID 57008757

IUPAC1,4a-dihydrobenzo[c]chromen-2-one
SMILESO=C1C=CC2OC=c3ccccc3=C2C1
InChIInChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-6,8,13H,7H2
InChIKeyZYCHQOTXNDRWKP-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.50
Rot. Bonds

About 1,4a-dihydrobenzo[c]chromen-2-one

1,4a-dihydrobenzo[c]chromen-2-one (PubChem CID 57008757) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1,4a-dihydrobenzo[c]chromen-2-one.

Molecular Properties

Compound Name1,4a-dihydrobenzo[c]chromen-2-one
PubChem CID57008757
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name1,4a-dihydrobenzo[c]chromen-2-one
SMILESO=C1C=CC2OC=c3ccccc3=C2C1
InChIInChI=1S/C13H10O2/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-6,8,13H,7H2
InChIKeyZYCHQOTXNDRWKP-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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11h-Anthra[1,2-b]pyran-11-one
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CID 129768379
Pyranophenalenone
CID 129839450
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Frequently Asked Questions

What is the IUPAC name of 1,4a-dihydrobenzo[c]chromen-2-one?
The IUPAC name of 1,4a-dihydrobenzo[c]chromen-2-one (CID 57008757) is 1,4a-dihydrobenzo[c]chromen-2-one.
What is the SMILES notation for 1,4a-dihydrobenzo[c]chromen-2-one?
The canonical SMILES for 1,4a-dihydrobenzo[c]chromen-2-one is O=C1C=CC2OC=c3ccccc3=C2C1.
What is the InChIKey of 1,4a-dihydrobenzo[c]chromen-2-one?
The InChIKey is ZYCHQOTXNDRWKP-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/h1-6,8,13H,7H2.
What are the key properties of 1,4a-dihydrobenzo[c]chromen-2-one?
1,4a-dihydrobenzo[c]chromen-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4a-dihydrobenzo[c]chromen-2-one is sourced from PubChem (CID 57008757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).