2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan

C19H24O2 — CID 10731799

IUPAC2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan
SMILESCCCC[C@H](C/C=C\c1ccco1)OCc1ccccc1
InChIInChI=1S/C19H24O2/c1-2-3-11-19(13-7-12-18-14-8-15-20-18)21-16-17-9-5-4-6-10-17/h4-10,12,14-15,19H,2-3,11,13,16H2,1H3/b12-7-/t19-/m1/s1
InChIKeyORROXCNEPUYZON-XCJXAGMVSA-N
MW284.40 g/mol
LogP5.46
Rot. Bonds9

About 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan

2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan (PubChem CID 10731799) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan.

Molecular Properties

Compound Name2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan
PubChem CID10731799
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan
SMILESCCCC[C@H](C/C=C\c1ccco1)OCc1ccccc1
InChIInChI=1S/C19H24O2/c1-2-3-11-19(13-7-12-18-14-8-15-20-18)21-16-17-9-5-4-6-10-17/h4-10,12,14-15,19H,2-3,11,13,16H2,1H3/b12-7-/t19-/m1/s1
InChIKeyORROXCNEPUYZON-XCJXAGMVSA-N
XLogP5.46
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15372294
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oct-1-yn-4-yloxymethylbenzene
CID 154226048
2-tridec-1-enylfuran
CID 76580057
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
4-phenylmethoxynonadecan-1-ol
CID 15735676
ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate
CID 10976711
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
2-[(E)-4-phenylbut-1-enyl]furan
CID 169432346
hexan-3-yloxymethylbenzene
CID 20782034
tert-butyl 3-oxo-5-phenylmethoxynonanoate
CID 57272843
1-phenylethyl 4-phenylmethoxyoctanoate
CID 174608864

Frequently Asked Questions

What is the IUPAC name of 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan?
The IUPAC name of 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan (CID 10731799) is 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan.
What is the SMILES notation for 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan?
The canonical SMILES for 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan is CCCC[C@H](C/C=C\c1ccco1)OCc1ccccc1.
What is the InChIKey of 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan?
The InChIKey is ORROXCNEPUYZON-XCJXAGMVSA-N. The full InChI is InChI=1S/C19H24O2/c1-2-3-11-19(13-7-12-18-14-8-15-20-18)21-16-17-9-5-4-6-10-17/h4-10,12,14-15,19H,2-3,11,13,16H2,1H3/b12-7-/t19-/m1/s1.
What are the key properties of 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan?
2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan has a molecular weight of 284.40 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan is sourced from PubChem (CID 10731799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).