1-benzyl-2,3-dipropylbenzene

C19H24 — CID 22920914

IUPAC1-benzyl-2,3-dipropylbenzene
SMILESCCCc1cccc(Cc2ccccc2)c1CCC
InChIInChI=1S/C19H24/c1-3-9-17-13-8-14-18(19(17)10-4-2)15-16-11-6-5-7-12-16/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyUVVXTULLAZFYLG-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.18
Rot. Bonds6

About 1-benzyl-2,3-dipropylbenzene

1-benzyl-2,3-dipropylbenzene (PubChem CID 22920914) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-benzyl-2,3-dipropylbenzene.

Molecular Properties

Compound Name1-benzyl-2,3-dipropylbenzene
PubChem CID22920914
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-benzyl-2,3-dipropylbenzene
SMILESCCCc1cccc(Cc2ccccc2)c1CCC
InChIInChI=1S/C19H24/c1-3-9-17-13-8-14-18(19(17)10-4-2)15-16-11-6-5-7-12-16/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyUVVXTULLAZFYLG-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzyl-2,3-dibutylbenzene;phenol
CID 174805048
CID 173406319
CID 173406319
2-butyl-1-octyl-3-propylbenzene
CID 141216645
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
1,3-diethyl-2-(2-phenylethyl)benzene
CID 14325369
2-propyl-1,3-di(tricosyl)benzene
CID 90723374
1,3-dioctyl-2-propylbenzene
CID 90707443
(2,3-dipropylphenyl)-phenylphosphane
CID 151365985
1,2,3-tributylbenzene;hydrate
CID 172716323
CID 160803924
CID 160803924
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
CID 160937062
CID 160937062

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dipropylbenzene?
The IUPAC name of 1-benzyl-2,3-dipropylbenzene (CID 22920914) is 1-benzyl-2,3-dipropylbenzene.
What is the SMILES notation for 1-benzyl-2,3-dipropylbenzene?
The canonical SMILES for 1-benzyl-2,3-dipropylbenzene is CCCc1cccc(Cc2ccccc2)c1CCC.
What is the InChIKey of 1-benzyl-2,3-dipropylbenzene?
The InChIKey is UVVXTULLAZFYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-3-9-17-13-8-14-18(19(17)10-4-2)15-16-11-6-5-7-12-16/h5-8,11-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of 1-benzyl-2,3-dipropylbenzene?
1-benzyl-2,3-dipropylbenzene has a molecular weight of 252.40 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dipropylbenzene is sourced from PubChem (CID 22920914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).