1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene

C19H22O — CID 162347407

IUPAC1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene
SMILESCC(C)Oc1cccc(C=CC(C)c2ccccc2)c1
InChIInChI=1S/C19H22O/c1-15(2)20-19-11-7-8-17(14-19)13-12-16(3)18-9-5-4-6-10-18/h4-16H,1-3H3
InChIKeyRTOASUJRIANLHH-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.29
Rot. Bonds5

About 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene

1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene (PubChem CID 162347407) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene
PubChem CID162347407
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene
SMILESCC(C)Oc1cccc(C=CC(C)c2ccccc2)c1
InChIInChI=1S/C19H22O/c1-15(2)20-19-11-7-8-17(14-19)13-12-16(3)18-9-5-4-6-10-18/h4-16H,1-3H3
InChIKeyRTOASUJRIANLHH-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(3-phenylbut-1-enyl)phenyl] acetate
CID 162347764
(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103091447
(E)-N-methyl-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103092042
1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
4-[methyl-[3-(3-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 91943223
1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
CID 22751109

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene?
The IUPAC name of 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene (CID 162347407) is 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene.
What is the SMILES notation for 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene?
The canonical SMILES for 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene is CC(C)Oc1cccc(C=CC(C)c2ccccc2)c1.
What is the InChIKey of 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene?
The InChIKey is RTOASUJRIANLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-15(2)20-19-11-7-8-17(14-19)13-12-16(3)18-9-5-4-6-10-18/h4-16H,1-3H3.
What are the key properties of 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene?
1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene has a molecular weight of 266.38 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene is sourced from PubChem (CID 162347407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).