(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol

C17H20O3 — CID 14764349

IUPAC(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol
SMILESC[C@@H](/C=C\C[C@@H](O)c1ccco1)OCc1ccccc1
InChIInChI=1S/C17H20O3/c1-14(20-13-15-8-3-2-4-9-15)7-5-10-16(18)17-11-6-12-19-17/h2-9,11-12,14,16,18H,10,13H2,1H3/b7-5-/t14-,16+/m0/s1
InChIKeyZVWBTXPJCNODES-VKDHPCIHSA-N
MW272.34 g/mol
LogP3.86
Rot. Bonds7

About (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol

(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol (PubChem CID 14764349) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol.

Molecular Properties

Compound Name(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol
PubChem CID14764349
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol
SMILESC[C@@H](/C=C\C[C@@H](O)c1ccco1)OCc1ccccc1
InChIInChI=1S/C17H20O3/c1-14(20-13-15-8-3-2-4-9-15)7-5-10-16(18)17-11-6-12-19-17/h2-9,11-12,14,16,18H,10,13H2,1H3/b7-5-/t14-,16+/m0/s1
InChIKeyZVWBTXPJCNODES-VKDHPCIHSA-N
XLogP3.86
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol
CID 14764351
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
2-(1-phenylmethoxyprop-2-enyl)furan
CID 46944298
(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
1-(furan-2-yl)-4-methylpent-3-en-1-ol
CID 15350980
(E)-4-phenylmethoxypent-2-enal
CID 59042461
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan
CID 10731799
benzyl 3-(furan-2-yl)hex-5-enoate
CID 134916819

Frequently Asked Questions

What is the IUPAC name of (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol?
The IUPAC name of (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol (CID 14764349) is (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol.
What is the SMILES notation for (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol?
The canonical SMILES for (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol is C[C@@H](/C=C\C[C@@H](O)c1ccco1)OCc1ccccc1.
What is the InChIKey of (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol?
The InChIKey is ZVWBTXPJCNODES-VKDHPCIHSA-N. The full InChI is InChI=1S/C17H20O3/c1-14(20-13-15-8-3-2-4-9-15)7-5-10-16(18)17-11-6-12-19-17/h2-9,11-12,14,16,18H,10,13H2,1H3/b7-5-/t14-,16+/m0/s1.
What are the key properties of (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol?
(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol has a molecular weight of 272.34 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol is sourced from PubChem (CID 14764349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).