2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene

C28H32O — CID 169145384

IUPAC2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene
SMILESc1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCOC2
InChIInChI=1S/C10H12.C9H10O.C9H10/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1/h1-2,5-6H,3-4,7-8H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2
InChIKeyRAKCILVINRDSKS-UHFFFAOYSA-N
MW384.56 g/mol
LogP6.50
Rot. Bonds

About 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene

2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene (PubChem CID 169145384) has the molecular formula C28H32O and a molecular weight of 384.56 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene
PubChem CID169145384
Molecular FormulaC28H32O
Molecular Weight384.56 g/mol
Exact Mass384.25
IUPAC Name2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene
SMILESc1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCOC2
InChIInChI=1S/C10H12.C9H10O.C9H10/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1/h1-2,5-6H,3-4,7-8H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2
InChIKeyRAKCILVINRDSKS-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene (CID 169145384) is 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene is c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCOC2.
What is the InChIKey of 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene?
The InChIKey is RAKCILVINRDSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H10O.C9H10/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1/h1-2,5-6H,3-4,7-8H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2.
What are the key properties of 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene?
2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 384.56 g/mol, XLogP of 6.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 169145384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).