4a,10a-dihydro-1H-benzo[g]isochromene

C13H12O — CID 54527377

IUPAC4a,10a-dihydro-1H-benzo[g]isochromene
SMILESC1=CC2C=c3ccccc3=CC2CO1
InChIInChI=1S/C13H12O/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h1-8,12-13H,9H2
InChIKeyYUBWIFKITXGPRT-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.04
Rot. Bonds

About 4a,10a-dihydro-1H-benzo[g]isochromene

4a,10a-dihydro-1H-benzo[g]isochromene (PubChem CID 54527377) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 4a,10a-dihydro-1H-benzo[g]isochromene.

Molecular Properties

Compound Name4a,10a-dihydro-1H-benzo[g]isochromene
PubChem CID54527377
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name4a,10a-dihydro-1H-benzo[g]isochromene
SMILESC1=CC2C=c3ccccc3=CC2CO1
InChIInChI=1S/C13H12O/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h1-8,12-13H,9H2
InChIKeyYUBWIFKITXGPRT-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4aH-Isochromen
CID 19966602
1,9a-Dihydrobenzo[f][2]benzofuran
CID 22463394
3-methyl-4aH-isochromene
CID 91227635
1,7a-Dihydro-2-benzofuran
CID 20067307
1-(2-Methylpropoxy)-4a,8a-dihydronaphthalene
CID 58190039
4aH-isochromene;hydrochloride
CID 67902852
4aH-isochromen-4-ol
CID 69540654
4,4a-dihydro-3H-isochromene
CID 69672850
8,8a-dihydro-1H-isochromene
CID 91100396
6-methyl-8,8a-dihydro-1H-isochromene
CID 91328626
10a,10b-dihydro-3H-benzo[c]chromene
CID 91345960
Pyrano[4,3-f]isochromene
CID 140103732

Frequently Asked Questions

What is the IUPAC name of 4a,10a-dihydro-1H-benzo[g]isochromene?
The IUPAC name of 4a,10a-dihydro-1H-benzo[g]isochromene (CID 54527377) is 4a,10a-dihydro-1H-benzo[g]isochromene.
What is the SMILES notation for 4a,10a-dihydro-1H-benzo[g]isochromene?
The canonical SMILES for 4a,10a-dihydro-1H-benzo[g]isochromene is C1=CC2C=c3ccccc3=CC2CO1.
What is the InChIKey of 4a,10a-dihydro-1H-benzo[g]isochromene?
The InChIKey is YUBWIFKITXGPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h1-8,12-13H,9H2.
What are the key properties of 4a,10a-dihydro-1H-benzo[g]isochromene?
4a,10a-dihydro-1H-benzo[g]isochromene has a molecular weight of 184.24 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,10a-dihydro-1H-benzo[g]isochromene is sourced from PubChem (CID 54527377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).