1,3-dibutyl-2-(4-chlorophenyl)naphthalene

C24H27Cl — CID 174415687

IUPAC1,3-dibutyl-2-(4-chlorophenyl)naphthalene
SMILESCCCCc1cc2ccccc2c(CCCC)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl/c1-3-5-9-20-17-19-10-7-8-12-22(19)23(11-6-4-2)24(20)18-13-15-21(25)16-14-18/h7-8,10,12-17H,3-6,9,11H2,1-2H3
InChIKeyRGBGYXCCJXAMNQ-UHFFFAOYSA-N
MW350.93 g/mol
LogP7.85
Rot. Bonds7

About 1,3-dibutyl-2-(4-chlorophenyl)naphthalene

1,3-dibutyl-2-(4-chlorophenyl)naphthalene (PubChem CID 174415687) has the molecular formula C24H27Cl and a molecular weight of 350.93 g/mol. Its IUPAC name is 1,3-dibutyl-2-(4-chlorophenyl)naphthalene.

Molecular Properties

Compound Name1,3-dibutyl-2-(4-chlorophenyl)naphthalene
PubChem CID174415687
Molecular FormulaC24H27Cl
Molecular Weight350.93 g/mol
Exact Mass350.18
IUPAC Name1,3-dibutyl-2-(4-chlorophenyl)naphthalene
SMILESCCCCc1cc2ccccc2c(CCCC)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl/c1-3-5-9-20-17-19-10-7-8-12-22(19)23(11-6-4-2)24(20)18-13-15-21(25)16-14-18/h7-8,10,12-17H,3-6,9,11H2,1-2H3
InChIKeyRGBGYXCCJXAMNQ-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.93
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trioctylnaphthalene
CID 20513034
1,2-dibutylnaphthalene;naphthalene
CID 157292740
1-butylnaphthalene-2,3-diol;1,4-dimethylnaphthalene-2,3-diol
CID 67610713
CID 87740772
CID 87740772
1-(4-chlorophenyl)-2,3-dimethylnaphthalene
CID 123950118
1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol
CID 142599446
1,3-dioctylnaphthalene-2-sulfonic acid
CID 101319467
3-pentylnaphthalene-1,2-diol
CID 14529620
1,2-dibutyl-3-propan-2-ylnaphthalene
CID 154241338
2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid
CID 129163524
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
2-butyl-3-methylnaphthalene
CID 173304138

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-(4-chlorophenyl)naphthalene?
The IUPAC name of 1,3-dibutyl-2-(4-chlorophenyl)naphthalene (CID 174415687) is 1,3-dibutyl-2-(4-chlorophenyl)naphthalene.
What is the SMILES notation for 1,3-dibutyl-2-(4-chlorophenyl)naphthalene?
The canonical SMILES for 1,3-dibutyl-2-(4-chlorophenyl)naphthalene is CCCCc1cc2ccccc2c(CCCC)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1,3-dibutyl-2-(4-chlorophenyl)naphthalene?
The InChIKey is RGBGYXCCJXAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl/c1-3-5-9-20-17-19-10-7-8-12-22(19)23(11-6-4-2)24(20)18-13-15-21(25)16-14-18/h7-8,10,12-17H,3-6,9,11H2,1-2H3.
What are the key properties of 1,3-dibutyl-2-(4-chlorophenyl)naphthalene?
1,3-dibutyl-2-(4-chlorophenyl)naphthalene has a molecular weight of 350.93 g/mol, XLogP of 7.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2-(4-chlorophenyl)naphthalene is sourced from PubChem (CID 174415687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).