10a,10b-dihydro-3H-benzo[c]chromene

C13H12O — CID 91345960

IUPAC10a,10b-dihydro-3H-benzo[c]chromene
SMILESC1=CC2=COC3=CCC=CC3C2C=C1
InChIInChI=1S/C13H12O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-3,5-9,11-12H,4H2
InChIKeyJTUWBFJEUQHDLH-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.10
Rot. Bonds

About 10a,10b-dihydro-3H-benzo[c]chromene

10a,10b-dihydro-3H-benzo[c]chromene (PubChem CID 91345960) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 10a,10b-dihydro-3H-benzo[c]chromene.

Molecular Properties

Compound Name10a,10b-dihydro-3H-benzo[c]chromene
PubChem CID91345960
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name10a,10b-dihydro-3H-benzo[c]chromene
SMILESC1=CC2=COC3=CCC=CC3C2C=C1
InChIInChI=1S/C13H12O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-3,5-9,11-12H,4H2
InChIKeyJTUWBFJEUQHDLH-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4aR)-3,4,4a,8a-tetrahydro-1H-isochromene
CID 134863218
(4aS)-3,4,4a,8a-tetrahydro-1H-isochromene
CID 134863327
(9aS,9bS)-8-fluoro-9a,9b-dihydrobenzo[e][1]benzofuran
CID 100992453
3,4,4a,10a-tetrahydro-1H-benzo[g]isochromene
CID 54399020
4a,10a-dihydro-1H-benzo[g]isochromene
CID 54527377
6,7,8,8a-tetrahydro-1H-isochromene
CID 57183798
1-methyl-6,7,8,8a-tetrahydro-1H-isochromene
CID 57207295
1-Methoxy-4-methyl-4a,8a-dihydronaphthalene
CID 59700518
15-Oxatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9,11-hexaene
CID 60101478
6,6a,10a,10b-tetrahydro-1H-benzo[c]chromene
CID 68746212
4,4a-dihydro-3H-isochromene
CID 69672850
4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene
CID 70268115

Frequently Asked Questions

What is the IUPAC name of 10a,10b-dihydro-3H-benzo[c]chromene?
The IUPAC name of 10a,10b-dihydro-3H-benzo[c]chromene (CID 91345960) is 10a,10b-dihydro-3H-benzo[c]chromene.
What is the SMILES notation for 10a,10b-dihydro-3H-benzo[c]chromene?
The canonical SMILES for 10a,10b-dihydro-3H-benzo[c]chromene is C1=CC2=COC3=CCC=CC3C2C=C1.
What is the InChIKey of 10a,10b-dihydro-3H-benzo[c]chromene?
The InChIKey is JTUWBFJEUQHDLH-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/h1-3,5-9,11-12H,4H2.
What are the key properties of 10a,10b-dihydro-3H-benzo[c]chromene?
10a,10b-dihydro-3H-benzo[c]chromene has a molecular weight of 184.24 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10a,10b-dihydro-3H-benzo[c]chromene is sourced from PubChem (CID 91345960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).