1-methylnaphthalene

C11H10 — CID 7002

IUPAC1-methylnaphthalene
SMILESCc1cccc2ccccc12
InChIInChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
InChIKeyQPUYECUOLPXSFR-UHFFFAOYSA-N
MW142.20 g/mol
LogP3.15
Rot. Bonds

About 1-methylnaphthalene

1-methylnaphthalene (PubChem CID 7002) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-methylnaphthalene.

Molecular Properties

Compound Name1-methylnaphthalene
PubChem CID7002
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name1-methylnaphthalene
SMILESCc1cccc2ccccc12
InChIInChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
InChIKeyQPUYECUOLPXSFR-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Biphenyl
CID 7095
Benzo[a]pyrene
CID 2336
O-Xylene
CID 7237
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
Tetralin
CID 8404
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Fluoranthene
CID 9154

Frequently Asked Questions

What is the IUPAC name of 1-methylnaphthalene?
The IUPAC name of 1-methylnaphthalene (CID 7002) is 1-methylnaphthalene.
What is the SMILES notation for 1-methylnaphthalene?
The canonical SMILES for 1-methylnaphthalene is Cc1cccc2ccccc12.
What is the InChIKey of 1-methylnaphthalene?
The InChIKey is QPUYECUOLPXSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3.
What are the key properties of 1-methylnaphthalene?
1-methylnaphthalene has a molecular weight of 142.20 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylnaphthalene is sourced from PubChem (CID 7002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).