1-(4-chlorophenyl)-2,3-dimethylnaphthalene

C18H15Cl — CID 123950118

IUPAC1-(4-chlorophenyl)-2,3-dimethylnaphthalene
SMILESCc1cc2ccccc2c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H15Cl/c1-12-11-15-5-3-4-6-17(15)18(13(12)2)14-7-9-16(19)10-8-14/h3-11H,1-2H3
InChIKeyQNGBBTRSRKSCHD-UHFFFAOYSA-N
MW266.77 g/mol
LogP5.78
Rot. Bonds1

About 1-(4-chlorophenyl)-2,3-dimethylnaphthalene

1-(4-chlorophenyl)-2,3-dimethylnaphthalene (PubChem CID 123950118) has the molecular formula C18H15Cl and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,3-dimethylnaphthalene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,3-dimethylnaphthalene
PubChem CID123950118
Molecular FormulaC18H15Cl
Molecular Weight266.77 g/mol
Exact Mass266.09
IUPAC Name1-(4-chlorophenyl)-2,3-dimethylnaphthalene
SMILESCc1cc2ccccc2c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H15Cl/c1-12-11-15-5-3-4-6-17(15)18(13(12)2)14-7-9-16(19)10-8-14/h3-11H,1-2H3
InChIKeyQNGBBTRSRKSCHD-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.77
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
1,3-dibutyl-2-(4-chlorophenyl)naphthalene
CID 174415687
2,3-dimethyl-1-(4-methylsulfonylphenyl)anthracene
CID 150509374
4-[1-(4-cyanophenyl)-3-methylnaphthalen-2-yl]benzonitrile
CID 122383144
9-anthracen-9-ylanthracene;toluene
CID 86148014
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
2-(2,3,5,6-tetramethylphenyl)naphthalene
CID 90733282
3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
CID 23311022
3-methyl-2-phenylnaphthalen-1-ol
CID 68536757
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
3-(4-chlorophenyl)naphthalen-1-amine
CID 56642068
1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
CID 146211188

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,3-dimethylnaphthalene?
The IUPAC name of 1-(4-chlorophenyl)-2,3-dimethylnaphthalene (CID 123950118) is 1-(4-chlorophenyl)-2,3-dimethylnaphthalene.
What is the SMILES notation for 1-(4-chlorophenyl)-2,3-dimethylnaphthalene?
The canonical SMILES for 1-(4-chlorophenyl)-2,3-dimethylnaphthalene is Cc1cc2ccccc2c(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-2,3-dimethylnaphthalene?
The InChIKey is QNGBBTRSRKSCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl/c1-12-11-15-5-3-4-6-17(15)18(13(12)2)14-7-9-16(19)10-8-14/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2,3-dimethylnaphthalene?
1-(4-chlorophenyl)-2,3-dimethylnaphthalene has a molecular weight of 266.77 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,3-dimethylnaphthalene is sourced from PubChem (CID 123950118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).