1-(1-methoxyhex-5-enyl)-4-phenylbenzene

C19H22O — CID 163855883

IUPAC1-(1-methoxyhex-5-enyl)-4-phenylbenzene
SMILESC=CCCCC(OC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O/c1-3-4-6-11-19(20-2)18-14-12-17(13-15-18)16-9-7-5-8-10-16/h3,5,7-10,12-15,19H,1,4,6,11H2,2H3
InChIKeyOYGGKNOCLOUCBK-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.40
Rot. Bonds7

About 1-(1-methoxyhex-5-enyl)-4-phenylbenzene

1-(1-methoxyhex-5-enyl)-4-phenylbenzene (PubChem CID 163855883) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1-methoxyhex-5-enyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(1-methoxyhex-5-enyl)-4-phenylbenzene
PubChem CID163855883
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-(1-methoxyhex-5-enyl)-4-phenylbenzene
SMILESC=CCCCC(OC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O/c1-3-4-6-11-19(20-2)18-14-12-17(13-15-18)16-9-7-5-8-10-16/h3,5,7-10,12-15,19H,1,4,6,11H2,2H3
InChIKeyOYGGKNOCLOUCBK-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-5-phenylpentan-1-imine
CID 54208453
N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine
CID 101115753
1-bromohex-5-enylbenzene
CID 13296849
[(3R)-3-methoxyoct-7-en-1-ynyl]benzene
CID 135042542
1-methyl-4-(6-phenylundeca-4,10-dien-3-yl)benzene
CID 173200762
1-methoxy-1-phenylhept-6-en-2-one
CID 116751531
1-hex-5-enyl-4-phenylbenzene
CID 59235470
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
1-phenyldec-9-enyl hydrogen sulfate
CID 87475025
hex-1-ene;toluene
CID 22480689
N-ethenyl-1-phenylhex-5-en-1-amine
CID 143899130

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyhex-5-enyl)-4-phenylbenzene?
The IUPAC name of 1-(1-methoxyhex-5-enyl)-4-phenylbenzene (CID 163855883) is 1-(1-methoxyhex-5-enyl)-4-phenylbenzene.
What is the SMILES notation for 1-(1-methoxyhex-5-enyl)-4-phenylbenzene?
The canonical SMILES for 1-(1-methoxyhex-5-enyl)-4-phenylbenzene is C=CCCCC(OC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(1-methoxyhex-5-enyl)-4-phenylbenzene?
The InChIKey is OYGGKNOCLOUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-3-4-6-11-19(20-2)18-14-12-17(13-15-18)16-9-7-5-8-10-16/h3,5,7-10,12-15,19H,1,4,6,11H2,2H3.
What are the key properties of 1-(1-methoxyhex-5-enyl)-4-phenylbenzene?
1-(1-methoxyhex-5-enyl)-4-phenylbenzene has a molecular weight of 266.38 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyhex-5-enyl)-4-phenylbenzene is sourced from PubChem (CID 163855883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).