3,4-dihydro-1H-benzo[h]isochromene

C13H12O — CID 67403180

IUPAC3,4-dihydro-1H-benzo[h]isochromene
SMILESc1ccc2c3c(ccc2c1)CCOC3
InChIInChI=1S/C13H12O/c1-2-4-12-10(3-1)5-6-11-7-8-14-9-13(11)12/h1-6H,7-9H2
InChIKeyNHLRCCPMJWDYFU-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.91
Rot. Bonds

About 3,4-dihydro-1H-benzo[h]isochromene

3,4-dihydro-1H-benzo[h]isochromene (PubChem CID 67403180) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3,4-dihydro-1H-benzo[h]isochromene.

Molecular Properties

Compound Name3,4-dihydro-1H-benzo[h]isochromene
PubChem CID67403180
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name3,4-dihydro-1H-benzo[h]isochromene
SMILESc1ccc2c3c(ccc2c1)CCOC3
InChIInChI=1S/C13H12O/c1-2-4-12-10(3-1)5-6-11-7-8-14-9-13(11)12/h1-6H,7-9H2
InChIKeyNHLRCCPMJWDYFU-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-benzo[h]isochromene?
The IUPAC name of 3,4-dihydro-1H-benzo[h]isochromene (CID 67403180) is 3,4-dihydro-1H-benzo[h]isochromene.
What is the SMILES notation for 3,4-dihydro-1H-benzo[h]isochromene?
The canonical SMILES for 3,4-dihydro-1H-benzo[h]isochromene is c1ccc2c3c(ccc2c1)CCOC3.
What is the InChIKey of 3,4-dihydro-1H-benzo[h]isochromene?
The InChIKey is NHLRCCPMJWDYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-4-12-10(3-1)5-6-11-7-8-14-9-13(11)12/h1-6H,7-9H2.
What are the key properties of 3,4-dihydro-1H-benzo[h]isochromene?
3,4-dihydro-1H-benzo[h]isochromene has a molecular weight of 184.24 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-benzo[h]isochromene is sourced from PubChem (CID 67403180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).