1,3-dimethyl-2H-naphthalene

C12H12 — CID 152754808

IUPAC1,3-dimethyl-2H-naphthalene
SMILESCC1=C=c2ccccc2=C(C)C1
InChIInChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-6H,7H2,1-2H3
InChIKeyKDGJJBYTFKTTAC-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.59
Rot. Bonds

About 1,3-dimethyl-2H-naphthalene

1,3-dimethyl-2H-naphthalene (PubChem CID 152754808) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,3-dimethyl-2H-naphthalene.

Molecular Properties

Compound Name1,3-dimethyl-2H-naphthalene
PubChem CID152754808
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name1,3-dimethyl-2H-naphthalene
SMILESCC1=C=c2ccccc2=C(C)C1
InChIInChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-6H,7H2,1-2H3
InChIKeyKDGJJBYTFKTTAC-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-methyl-2H-indene
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1-fluoro-4-methyl-2,3-dihydronaphthalene
CID 143753613
acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane
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3-methyl-4-phenylcyclopent-3-en-1-one
CID 58657939
methanethiol;1-methyl-2,3-dihydronaphthalene
CID 143782367
5-methyl-8H-benzo[7]annulene
CID 142246381
5-methyl-7,8-dihydro-6H-benzo[7]annulene
CID 143041691
1-methyl-3,5-dihydro-2H-chrysen-6-one
CID 174436210
1,3,4,7-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione
CID 141389952
5-(2-chloro-6-methylphenyl)cyclohexane-1,3-dione
CID 143450624
1,2-xylene
CID 173422016

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-naphthalene?
The IUPAC name of 1,3-dimethyl-2H-naphthalene (CID 152754808) is 1,3-dimethyl-2H-naphthalene.
What is the SMILES notation for 1,3-dimethyl-2H-naphthalene?
The canonical SMILES for 1,3-dimethyl-2H-naphthalene is CC1=C=c2ccccc2=C(C)C1.
What is the InChIKey of 1,3-dimethyl-2H-naphthalene?
The InChIKey is KDGJJBYTFKTTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-6H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-2H-naphthalene?
1,3-dimethyl-2H-naphthalene has a molecular weight of 156.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-naphthalene is sourced from PubChem (CID 152754808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).