1-benzyl-4-(3-propoxypropoxy)benzene

C19H24O2 — CID 14353109

IUPAC1-benzyl-4-(3-propoxypropoxy)benzene
SMILESCCCOCCCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H24O2/c1-2-13-20-14-6-15-21-19-11-9-18(10-12-19)16-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-16H2,1H3
InChIKeyZNCYBYUHILEHAA-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.47
Rot. Bonds9

About 1-benzyl-4-(3-propoxypropoxy)benzene

1-benzyl-4-(3-propoxypropoxy)benzene (PubChem CID 14353109) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-benzyl-4-(3-propoxypropoxy)benzene.

Molecular Properties

Compound Name1-benzyl-4-(3-propoxypropoxy)benzene
PubChem CID14353109
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name1-benzyl-4-(3-propoxypropoxy)benzene
SMILESCCCOCCCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H24O2/c1-2-13-20-14-6-15-21-19-11-9-18(10-12-19)16-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-16H2,1H3
InChIKeyZNCYBYUHILEHAA-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
2-pentoxyethoxybenzene
CID 54431229
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-propoxypropoxy)benzene?
The IUPAC name of 1-benzyl-4-(3-propoxypropoxy)benzene (CID 14353109) is 1-benzyl-4-(3-propoxypropoxy)benzene.
What is the SMILES notation for 1-benzyl-4-(3-propoxypropoxy)benzene?
The canonical SMILES for 1-benzyl-4-(3-propoxypropoxy)benzene is CCCOCCCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-(3-propoxypropoxy)benzene?
The InChIKey is ZNCYBYUHILEHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-2-13-20-14-6-15-21-19-11-9-18(10-12-19)16-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-16H2,1H3.
What are the key properties of 1-benzyl-4-(3-propoxypropoxy)benzene?
1-benzyl-4-(3-propoxypropoxy)benzene has a molecular weight of 284.40 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-propoxypropoxy)benzene is sourced from PubChem (CID 14353109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).