1-butan-2-yl-4-(3-phenylpropoxy)benzene

C19H24O — CID 103601085

IUPAC1-butan-2-yl-4-(3-phenylpropoxy)benzene
SMILESCCC(C)c1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C19H24O/c1-3-16(2)18-11-13-19(14-12-18)20-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3
InChIKeyCAVNMEYVAGCART-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.21
Rot. Bonds7

About 1-butan-2-yl-4-(3-phenylpropoxy)benzene

1-butan-2-yl-4-(3-phenylpropoxy)benzene (PubChem CID 103601085) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-butan-2-yl-4-(3-phenylpropoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(3-phenylpropoxy)benzene
PubChem CID103601085
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-butan-2-yl-4-(3-phenylpropoxy)benzene
SMILESCCC(C)c1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C19H24O/c1-3-16(2)18-11-13-19(14-12-18)20-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3
InChIKeyCAVNMEYVAGCART-UHFFFAOYSA-N
XLogP5.21
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 ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
CID 107669015
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
CID 123964762
1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene
CID 67327609
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(3-phenylpropoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(3-phenylpropoxy)benzene (CID 103601085) is 1-butan-2-yl-4-(3-phenylpropoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(3-phenylpropoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(3-phenylpropoxy)benzene is CCC(C)c1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(3-phenylpropoxy)benzene?
The InChIKey is CAVNMEYVAGCART-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-3-16(2)18-11-13-19(14-12-18)20-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(3-phenylpropoxy)benzene?
1-butan-2-yl-4-(3-phenylpropoxy)benzene has a molecular weight of 268.40 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(3-phenylpropoxy)benzene is sourced from PubChem (CID 103601085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).