benzene;2-methylnaphthalene

C17H16 — CID 159438891

IUPACbenzene;2-methylnaphthalene
SMILESCc1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C11H10.C6H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-4-6-5-3-1/h2-8H,1H3;1-6H
InChIKeyLRXQSICOCNFQMS-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.83
Rot. Bonds

About benzene;2-methylnaphthalene

benzene;2-methylnaphthalene (PubChem CID 159438891) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is benzene;2-methylnaphthalene.

Molecular Properties

Compound Namebenzene;2-methylnaphthalene
PubChem CID159438891
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Namebenzene;2-methylnaphthalene
SMILESCc1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C11H10.C6H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-4-6-5-3-1/h2-8H,1H3;1-6H
InChIKeyLRXQSICOCNFQMS-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
lithium;hydride;2-methylnaphthalene
CID 175090071
2-methylnaphthalene;1,2-xylene
CID 142041411
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
potassium;hydride;2-methylnaphthalene;tritetrafluoroborate
CID 175179501
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
2,3-dimethylpyrazine;2-methylnaphthalene
CID 142090044
9-methylanthracene;2-methylnaphthalene
CID 159699144
butane;2-methylanthracene
CID 90696557
2-methylnaphthalene;pyrrolidine
CID 142171298

Frequently Asked Questions

What is the IUPAC name of benzene;2-methylnaphthalene?
The IUPAC name of benzene;2-methylnaphthalene (CID 159438891) is benzene;2-methylnaphthalene.
What is the SMILES notation for benzene;2-methylnaphthalene?
The canonical SMILES for benzene;2-methylnaphthalene is Cc1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;2-methylnaphthalene?
The InChIKey is LRXQSICOCNFQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C6H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-4-6-5-3-1/h2-8H,1H3;1-6H.
What are the key properties of benzene;2-methylnaphthalene?
benzene;2-methylnaphthalene has a molecular weight of 220.31 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-methylnaphthalene is sourced from PubChem (CID 159438891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).