6,6a-dihydro-5H-benzo[a]xanthene

C17H14O — CID 132502536

IUPAC6,6a-dihydro-5H-benzo[a]xanthene
SMILESC1=C2c3ccccc3CCC2Oc2ccccc21
InChIInChI=1S/C17H14O/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-8,11,17H,9-10H2
InChIKeyZMANYRBKQAGGAZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.93
Rot. Bonds

About 6,6a-dihydro-5H-benzo[a]xanthene

6,6a-dihydro-5H-benzo[a]xanthene (PubChem CID 132502536) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6,6a-dihydro-5H-benzo[a]xanthene.

Molecular Properties

Compound Name6,6a-dihydro-5H-benzo[a]xanthene
PubChem CID132502536
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name6,6a-dihydro-5H-benzo[a]xanthene
SMILESC1=C2c3ccccc3CCC2Oc2ccccc21
InChIInChI=1S/C17H14O/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-8,11,17H,9-10H2
InChIKeyZMANYRBKQAGGAZ-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 157336431
4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione
CID 175772410
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
4-benzo[b][1]benzoxepin-5-yl-1-methylpiperidine
CID 10356955
4-(3,4-dihydro-2H-chromen-2-yl)-1-oxidopyridin-1-ium
CID 57215409
5,6a-dihydroindeno[1,2-c]isochromene
CID 91350887
5-[(2R)-3,4-dihydro-2H-chromen-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 6923449
2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromene
CID 173225746
(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
CID 102531823
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
3,3-diphenyl-2,3a,4,5-tetrahydrobenzo[e]phosphindol-3-ium
CID 23413577
3-(iodomethyl)-4,5-dihydro-3H-2-benzoxepin-1-one
CID 11012087

Frequently Asked Questions

What is the IUPAC name of 6,6a-dihydro-5H-benzo[a]xanthene?
The IUPAC name of 6,6a-dihydro-5H-benzo[a]xanthene (CID 132502536) is 6,6a-dihydro-5H-benzo[a]xanthene.
What is the SMILES notation for 6,6a-dihydro-5H-benzo[a]xanthene?
The canonical SMILES for 6,6a-dihydro-5H-benzo[a]xanthene is C1=C2c3ccccc3CCC2Oc2ccccc21.
What is the InChIKey of 6,6a-dihydro-5H-benzo[a]xanthene?
The InChIKey is ZMANYRBKQAGGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-8,11,17H,9-10H2.
What are the key properties of 6,6a-dihydro-5H-benzo[a]xanthene?
6,6a-dihydro-5H-benzo[a]xanthene has a molecular weight of 234.30 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a-dihydro-5H-benzo[a]xanthene is sourced from PubChem (CID 132502536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).