2,9-dihydro-1H-benzo[c]chromene

C13H12O — CID 163320485

IUPAC2,9-dihydro-1H-benzo[c]chromene
SMILESC1=CC2=COC3=C(CCC=C3)C2=CC1
InChIInChI=1S/C13H12O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1,4-6,8-9H,2-3,7H2
InChIKeyZCKWTMMQBFGYJO-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.39
Rot. Bonds

About 2,9-dihydro-1H-benzo[c]chromene

2,9-dihydro-1H-benzo[c]chromene (PubChem CID 163320485) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,9-dihydro-1H-benzo[c]chromene.

Molecular Properties

Compound Name2,9-dihydro-1H-benzo[c]chromene
PubChem CID163320485
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2,9-dihydro-1H-benzo[c]chromene
SMILESC1=CC2=COC3=C(CCC=C3)C2=CC1
InChIInChI=1S/C13H12O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1,4-6,8-9H,2-3,7H2
InChIKeyZCKWTMMQBFGYJO-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,9-dihydro-1H-benzo[c]chromene?
The IUPAC name of 2,9-dihydro-1H-benzo[c]chromene (CID 163320485) is 2,9-dihydro-1H-benzo[c]chromene.
What is the SMILES notation for 2,9-dihydro-1H-benzo[c]chromene?
The canonical SMILES for 2,9-dihydro-1H-benzo[c]chromene is C1=CC2=COC3=C(CCC=C3)C2=CC1.
What is the InChIKey of 2,9-dihydro-1H-benzo[c]chromene?
The InChIKey is ZCKWTMMQBFGYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1,4-6,8-9H,2-3,7H2.
What are the key properties of 2,9-dihydro-1H-benzo[c]chromene?
2,9-dihydro-1H-benzo[c]chromene has a molecular weight of 184.24 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dihydro-1H-benzo[c]chromene is sourced from PubChem (CID 163320485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).