2,3-dimethyl-1,2-dihydronaphthalene

C12H14 — CID 121008714

IUPAC2,3-dimethyl-1,2-dihydronaphthalene
SMILESCC1=Cc2ccccc2CC1C
InChIInChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,10H,8H2,1-2H3
InChIKeyBHOPRMHWYPVJPL-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.28
Rot. Bonds

About 2,3-dimethyl-1,2-dihydronaphthalene

2,3-dimethyl-1,2-dihydronaphthalene (PubChem CID 121008714) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,3-dimethyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name2,3-dimethyl-1,2-dihydronaphthalene
PubChem CID121008714
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name2,3-dimethyl-1,2-dihydronaphthalene
SMILESCC1=Cc2ccccc2CC1C
InChIInChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,10H,8H2,1-2H3
InChIKeyBHOPRMHWYPVJPL-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,2-dihydronaphthalene?
The IUPAC name of 2,3-dimethyl-1,2-dihydronaphthalene (CID 121008714) is 2,3-dimethyl-1,2-dihydronaphthalene.
What is the SMILES notation for 2,3-dimethyl-1,2-dihydronaphthalene?
The canonical SMILES for 2,3-dimethyl-1,2-dihydronaphthalene is CC1=Cc2ccccc2CC1C.
What is the InChIKey of 2,3-dimethyl-1,2-dihydronaphthalene?
The InChIKey is BHOPRMHWYPVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,10H,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,2-dihydronaphthalene?
2,3-dimethyl-1,2-dihydronaphthalene has a molecular weight of 158.24 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,2-dihydronaphthalene is sourced from PubChem (CID 121008714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).