2-benzyl-1-propoxy-4-propylbenzene

C19H24O — CID 170893890

IUPAC2-benzyl-1-propoxy-4-propylbenzene
SMILESCCCOc1ccc(CCC)cc1Cc1ccccc1
InChIInChI=1S/C19H24O/c1-3-8-16-11-12-19(20-13-4-2)18(14-16)15-17-9-6-5-7-10-17/h5-7,9-12,14H,3-4,8,13,15H2,1-2H3
InChIKeyCUTMJAASCGCQAR-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.02
Rot. Bonds7

About 2-benzyl-1-propoxy-4-propylbenzene

2-benzyl-1-propoxy-4-propylbenzene (PubChem CID 170893890) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-benzyl-1-propoxy-4-propylbenzene.

Molecular Properties

Compound Name2-benzyl-1-propoxy-4-propylbenzene
PubChem CID170893890
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-benzyl-1-propoxy-4-propylbenzene
SMILESCCCOc1ccc(CCC)cc1Cc1ccccc1
InChIInChI=1S/C19H24O/c1-3-8-16-11-12-19(20-13-4-2)18(14-16)15-17-9-6-5-7-10-17/h5-7,9-12,14H,3-4,8,13,15H2,1-2H3
InChIKeyCUTMJAASCGCQAR-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812
N-[2-(2-benzyl-4-chlorophenoxy)ethyl]propan-1-amine
CID 63516060
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
8-benzyl-2-propoxynaphthalen-1-ol
CID 19022402
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
1-[[3-(methoxymethyl)-4-propoxyphenyl]methyl]-2-phenylhydrazine
CID 169386185
2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
CID 9292846
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-propoxy-4-propylbenzene?
The IUPAC name of 2-benzyl-1-propoxy-4-propylbenzene (CID 170893890) is 2-benzyl-1-propoxy-4-propylbenzene.
What is the SMILES notation for 2-benzyl-1-propoxy-4-propylbenzene?
The canonical SMILES for 2-benzyl-1-propoxy-4-propylbenzene is CCCOc1ccc(CCC)cc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-propoxy-4-propylbenzene?
The InChIKey is CUTMJAASCGCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-3-8-16-11-12-19(20-13-4-2)18(14-16)15-17-9-6-5-7-10-17/h5-7,9-12,14H,3-4,8,13,15H2,1-2H3.
What are the key properties of 2-benzyl-1-propoxy-4-propylbenzene?
2-benzyl-1-propoxy-4-propylbenzene has a molecular weight of 268.40 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-propoxy-4-propylbenzene is sourced from PubChem (CID 170893890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).