butane;1-chloro-4-(3-methylphenyl)benzene

C17H21Cl — CID 143529938

IUPACbutane;1-chloro-4-(3-methylphenyl)benzene
SMILESCCCC.Cc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H11Cl.C4H10/c1-10-3-2-4-12(9-10)11-5-7-13(14)8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3
InChIKeyQYMGABPNACHCBE-UHFFFAOYSA-N
MW260.81 g/mol
LogP6.12
Rot. Bonds2

About butane;1-chloro-4-(3-methylphenyl)benzene

butane;1-chloro-4-(3-methylphenyl)benzene (PubChem CID 143529938) has the molecular formula C17H21Cl and a molecular weight of 260.81 g/mol. Its IUPAC name is butane;1-chloro-4-(3-methylphenyl)benzene.

Molecular Properties

Compound Namebutane;1-chloro-4-(3-methylphenyl)benzene
PubChem CID143529938
Molecular FormulaC17H21Cl
Molecular Weight260.81 g/mol
Exact Mass260.13
IUPAC Namebutane;1-chloro-4-(3-methylphenyl)benzene
SMILESCCCC.Cc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H11Cl.C4H10/c1-10-3-2-4-12(9-10)11-5-7-13(14)8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3
InChIKeyQYMGABPNACHCBE-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.81
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
butane;4-(3-methylphenyl)pyridine
CID 155692257
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
N,N-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 14669996
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
butane;methane;1,3-xylene;1,4-xylene
CID 159094623

Frequently Asked Questions

What is the IUPAC name of butane;1-chloro-4-(3-methylphenyl)benzene?
The IUPAC name of butane;1-chloro-4-(3-methylphenyl)benzene (CID 143529938) is butane;1-chloro-4-(3-methylphenyl)benzene.
What is the SMILES notation for butane;1-chloro-4-(3-methylphenyl)benzene?
The canonical SMILES for butane;1-chloro-4-(3-methylphenyl)benzene is CCCC.Cc1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of butane;1-chloro-4-(3-methylphenyl)benzene?
The InChIKey is QYMGABPNACHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl.C4H10/c1-10-3-2-4-12(9-10)11-5-7-13(14)8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-chloro-4-(3-methylphenyl)benzene?
butane;1-chloro-4-(3-methylphenyl)benzene has a molecular weight of 260.81 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-chloro-4-(3-methylphenyl)benzene is sourced from PubChem (CID 143529938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).