8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene

C20H26O — CID 158337388

IUPAC8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C)c1.Cc1cccc2c1OCCC2
InChIInChI=1S/C10H12O.C10H14/c1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-5-8(2)10(4)9(3)6-7/h2,4-5H,3,6-7H2,1H3;5-6H,1-4H3
InChIKeyGQTBVRWFJRRPEQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.24
Rot. Bonds

About 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene

8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene (PubChem CID 158337388) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene.

Molecular Properties

Compound Name8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
PubChem CID158337388
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C)c1.Cc1cccc2c1OCCC2
InChIInChI=1S/C10H12O.C10H14/c1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-5-8(2)10(4)9(3)6-7/h2,4-5H,3,6-7H2,1H3;5-6H,1-4H3
InChIKeyGQTBVRWFJRRPEQ-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene?
The IUPAC name of 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene (CID 158337388) is 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene.
What is the SMILES notation for 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene?
The canonical SMILES for 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene is Cc1cc(C)c(C)c(C)c1.Cc1cccc2c1OCCC2.
What is the InChIKey of 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene?
The InChIKey is GQTBVRWFJRRPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C10H14/c1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-5-8(2)10(4)9(3)6-7/h2,4-5H,3,6-7H2,1H3;5-6H,1-4H3.
What are the key properties of 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene?
8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene has a molecular weight of 282.43 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene is sourced from PubChem (CID 158337388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).