1-butyl-2-(3-methylphenyl)benzene

C17H20 — CID 174352877

IUPAC1-butyl-2-(3-methylphenyl)benzene
SMILESCCCCc1ccccc1-c1cccc(C)c1
InChIInChI=1S/C17H20/c1-3-4-9-15-10-5-6-12-17(15)16-11-7-8-14(2)13-16/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyAJFNORGJOXJLJY-UHFFFAOYSA-N
MW224.35 g/mol
LogP5.00
Rot. Bonds4

About 1-butyl-2-(3-methylphenyl)benzene

1-butyl-2-(3-methylphenyl)benzene (PubChem CID 174352877) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-butyl-2-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1-butyl-2-(3-methylphenyl)benzene
PubChem CID174352877
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-butyl-2-(3-methylphenyl)benzene
SMILESCCCCc1ccccc1-c1cccc(C)c1
InChIInChI=1S/C17H20/c1-3-4-9-15-10-5-6-12-17(15)16-11-7-8-14(2)13-16/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyAJFNORGJOXJLJY-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-(2-pentylphenyl)benzene
CID 54116278
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
2-[3-(2-butylphenyl)phenyl]-5-methylpyridine
CID 140633735
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
2-(2-butylphenyl)naphthalene
CID 58626566
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
gold;1-pentyl-2-phenylbenzene
CID 174945702
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
3-[4-butyl-3-(2-methylphenyl)phenyl]phenol;toluene
CID 145003853

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(3-methylphenyl)benzene?
The IUPAC name of 1-butyl-2-(3-methylphenyl)benzene (CID 174352877) is 1-butyl-2-(3-methylphenyl)benzene.
What is the SMILES notation for 1-butyl-2-(3-methylphenyl)benzene?
The canonical SMILES for 1-butyl-2-(3-methylphenyl)benzene is CCCCc1ccccc1-c1cccc(C)c1.
What is the InChIKey of 1-butyl-2-(3-methylphenyl)benzene?
The InChIKey is AJFNORGJOXJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-3-4-9-15-10-5-6-12-17(15)16-11-7-8-14(2)13-16/h5-8,10-13H,3-4,9H2,1-2H3.
What are the key properties of 1-butyl-2-(3-methylphenyl)benzene?
1-butyl-2-(3-methylphenyl)benzene has a molecular weight of 224.35 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(3-methylphenyl)benzene is sourced from PubChem (CID 174352877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).