2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene

C22H28O — CID 83937295

IUPAC2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene
SMILESCC/C=C\CC(CCC)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C22H28O/c1-4-6-8-12-19(11-5-2)22-16-15-21(17-18(22)3)23-20-13-9-7-10-14-20/h6-10,13-17,19H,4-5,11-12H2,1-3H3/b8-6-
InChIKeyXIXUQLRLOFYKTB-VURMDHGXSA-N
MW308.46 g/mol
LogP7.03
Rot. Bonds8

About 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene

2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene (PubChem CID 83937295) has the molecular formula C22H28O and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene.

Molecular Properties

Compound Name2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene
PubChem CID83937295
Molecular FormulaC22H28O
Molecular Weight308.46 g/mol
Exact Mass308.21
IUPAC Name2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene
SMILESCC/C=C\CC(CCC)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C22H28O/c1-4-6-8-12-19(11-5-2)22-16-15-21(17-18(22)3)23-20-13-9-7-10-14-20/h6-10,13-17,19H,4-5,11-12H2,1-3H3/b8-6-
InChIKeyXIXUQLRLOFYKTB-VURMDHGXSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-4-phenoxyphenyl)heptan-1-amine
CID 83937212
1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
1,4-dimethoxy-2-[(Z)-non-6-en-4-yl]benzene
CID 83938271
1-(4-bromobutan-2-yl)-2-methyl-4-phenoxybenzene
CID 83937210
1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
CID 83928970
1-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937321
3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol
CID 83937241
1,2,4,5-tetramethyl-3-[(Z)-non-6-en-4-yl]benzene
CID 83941472
6-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937319
1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole
CID 112719120
1-(2,2-dimethylhexan-3-yl)-4-phenoxybenzene;ethane
CID 145059782
1-pent-2-enyl-3-phenoxybenzene
CID 70370206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene?
The IUPAC name of 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene (CID 83937295) is 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene.
What is the SMILES notation for 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene?
The canonical SMILES for 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene is CC/C=C\CC(CCC)c1ccc(Oc2ccccc2)cc1C.
What is the InChIKey of 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene?
The InChIKey is XIXUQLRLOFYKTB-VURMDHGXSA-N. The full InChI is InChI=1S/C22H28O/c1-4-6-8-12-19(11-5-2)22-16-15-21(17-18(22)3)23-20-13-9-7-10-14-20/h6-10,13-17,19H,4-5,11-12H2,1-3H3/b8-6-.
What are the key properties of 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene?
2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene has a molecular weight of 308.46 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene is sourced from PubChem (CID 83937295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).