1,2-dimethyl-5-phenylnaphthalene

C18H16 — CID 171799128

IUPAC1,2-dimethyl-5-phenylnaphthalene
SMILESCc1ccc2c(-c3ccccc3)cccc2c1C
InChIInChI=1S/C18H16/c1-13-11-12-18-16(14(13)2)9-6-10-17(18)15-7-4-3-5-8-15/h3-12H,1-2H3
InChIKeyLSLDKPHFBANGDY-UHFFFAOYSA-N
MW232.33 g/mol
LogP5.12
Rot. Bonds1

About 1,2-dimethyl-5-phenylnaphthalene

1,2-dimethyl-5-phenylnaphthalene (PubChem CID 171799128) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,2-dimethyl-5-phenylnaphthalene.

Molecular Properties

Compound Name1,2-dimethyl-5-phenylnaphthalene
PubChem CID171799128
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name1,2-dimethyl-5-phenylnaphthalene
SMILESCc1ccc2c(-c3ccccc3)cccc2c1C
InChIInChI=1S/C18H16/c1-13-11-12-18-16(14(13)2)9-6-10-17(18)15-7-4-3-5-8-15/h3-12H,1-2H3
InChIKeyLSLDKPHFBANGDY-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-phenylnaphthalene?
The IUPAC name of 1,2-dimethyl-5-phenylnaphthalene (CID 171799128) is 1,2-dimethyl-5-phenylnaphthalene.
What is the SMILES notation for 1,2-dimethyl-5-phenylnaphthalene?
The canonical SMILES for 1,2-dimethyl-5-phenylnaphthalene is Cc1ccc2c(-c3ccccc3)cccc2c1C.
What is the InChIKey of 1,2-dimethyl-5-phenylnaphthalene?
The InChIKey is LSLDKPHFBANGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-13-11-12-18-16(14(13)2)9-6-10-17(18)15-7-4-3-5-8-15/h3-12H,1-2H3.
What are the key properties of 1,2-dimethyl-5-phenylnaphthalene?
1,2-dimethyl-5-phenylnaphthalene has a molecular weight of 232.33 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-phenylnaphthalene is sourced from PubChem (CID 171799128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).