1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene

C20H24O — CID 46187067

IUPAC1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene
SMILESCCC/C=C(/CCC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24O/c1-3-5-12-19(9-4-2)21-20-15-13-18(14-16-20)17-10-7-6-8-11-17/h6-8,10-16H,3-5,9H2,1-2H3/b19-12-
InChIKeyDZUMTWFZALDLES-UNOMPAQXSA-N
MW280.41 g/mol
LogP6.22
Rot. Bonds7

About 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene

1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene (PubChem CID 46187067) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene.

Molecular Properties

Compound Name1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene
PubChem CID46187067
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene
SMILESCCC/C=C(/CCC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24O/c1-3-5-12-19(9-4-2)21-20-15-13-18(14-16-20)17-10-7-6-8-11-17/h6-8,10-16H,3-5,9H2,1-2H3/b19-12-
InChIKeyDZUMTWFZALDLES-UNOMPAQXSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Z)-dec-5-en-5-yl]oxybenzene
CID 135061191
(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
ethane;1-[(3E)-hepta-1,3-dien-4-yl]oxy-4-methylbenzene
CID 144511100
azane;1,1'-biphenyl;butane
CID 155168826
icos-2-en-3-yloxybenzene
CID 151595117
(4-phenylphenyl) (2S)-2-methylbutanoate
CID 18638110
10-O-(4-phenylphenyl) 1-O-propyl decanedioate
CID 91725705
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
phenyl butanoate
CID 20354
2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine
CID 123155239
4-heptadec-5-en-6-yloxybenzenesulfonic acid
CID 175196983
1-O-octyl 6-O-(4-phenylphenyl) hexanedioate
CID 91725674

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene?
The IUPAC name of 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene (CID 46187067) is 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene.
What is the SMILES notation for 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene?
The canonical SMILES for 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene is CCC/C=C(/CCC)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene?
The InChIKey is DZUMTWFZALDLES-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H24O/c1-3-5-12-19(9-4-2)21-20-15-13-18(14-16-20)17-10-7-6-8-11-17/h6-8,10-16H,3-5,9H2,1-2H3/b19-12-.
What are the key properties of 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene?
1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene has a molecular weight of 280.41 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-oct-4-en-4-yl]oxy-4-phenylbenzene is sourced from PubChem (CID 46187067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).