7-methyl-1,2-dihydronaphthalene

C22H24 — CID 123252357

IUPAC7-methyl-1,2-dihydronaphthalene
SMILESCc1ccc2c(c1)CCC=C2.Cc1ccc2c(c1)CCC=C2
InChIInChI=1S/2C11H12/c2*1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2,4,6-8H,3,5H2,1H3
InChIKeyQMJBGBHNBWSCAU-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.91
Rot. Bonds

About 7-methyl-1,2-dihydronaphthalene

7-methyl-1,2-dihydronaphthalene (PubChem CID 123252357) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 7-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-methyl-1,2-dihydronaphthalene
PubChem CID123252357
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name7-methyl-1,2-dihydronaphthalene
SMILESCc1ccc2c(c1)CCC=C2.Cc1ccc2c(c1)CCC=C2
InChIInChI=1S/2C11H12/c2*1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2,4,6-8H,3,5H2,1H3
InChIKeyQMJBGBHNBWSCAU-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-tert-butyl-1,2-dihydronaphthalene
CID 58093565
7-iodo-1,2-dihydronaphthalene
CID 70927780
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 123351808
6,7-dimethyl-1,2-dihydronaphthalene;ethane;2-methylnaphthalene
CID 144871928
9-methyl-3,4,5,6-tetrahydrochrysene
CID 144659950
7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene
CID 135290511
7-(2-methylpropyl)-1,2-dihydronaphthalene
CID 162529552
1,2-dihydronaphthalene
CID 9938
1,2-dihydronaphthalene
CID 161389674
3-(7,8-dihydronaphthalen-2-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene;ethane
CID 144904524
3-methyl-7H-benzo[7]annulene
CID 123402364
2,7-dimethyl-1,2-dihydronaphthalene;ethane
CID 142943759

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2-dihydronaphthalene?
The IUPAC name of 7-methyl-1,2-dihydronaphthalene (CID 123252357) is 7-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-methyl-1,2-dihydronaphthalene is Cc1ccc2c(c1)CCC=C2.Cc1ccc2c(c1)CCC=C2.
What is the InChIKey of 7-methyl-1,2-dihydronaphthalene?
The InChIKey is QMJBGBHNBWSCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12/c2*1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2,4,6-8H,3,5H2,1H3.
What are the key properties of 7-methyl-1,2-dihydronaphthalene?
7-methyl-1,2-dihydronaphthalene has a molecular weight of 288.43 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 123252357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).