(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol

C18H20O3 — CID 10517184

IUPAC(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol
SMILESCOc1ccc(/C=C/C[C@H](O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-21-16-12-10-14(11-13-16)6-5-9-17(19)18(20)15-7-3-2-4-8-15/h2-8,10-13,17-20H,9H2,1H3/b6-5+/t17-,18-/m0/s1
InChIKeyUIODFVIXHONPMT-ZBKUBXTQSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds6

About (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol

(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol (PubChem CID 10517184) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol.

Molecular Properties

Compound Name(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol
PubChem CID10517184
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol
SMILESCOc1ccc(/C=C/C[C@H](O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-21-16-12-10-14(11-13-16)6-5-9-17(19)18(20)15-7-3-2-4-8-15/h2-8,10-13,17-20H,9H2,1H3/b6-5+/t17-,18-/m0/s1
InChIKeyUIODFVIXHONPMT-ZBKUBXTQSA-N
XLogP3.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-5-(4-methoxyphenyl)-1-phenylpent-4-en-1-ol
CID 22559360
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
CID 101380473
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
6,7-dihydroxy-7-phenylhept-3-en-2-one
CID 142690833
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 10904434
1-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 73118158
(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol
CID 58883202
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104

Frequently Asked Questions

What is the IUPAC name of (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol?
The IUPAC name of (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol (CID 10517184) is (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol.
What is the SMILES notation for (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol?
The canonical SMILES for (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol is COc1ccc(/C=C/C[C@H](O)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol?
The InChIKey is UIODFVIXHONPMT-ZBKUBXTQSA-N. The full InChI is InChI=1S/C18H20O3/c1-21-16-12-10-14(11-13-16)6-5-9-17(19)18(20)15-7-3-2-4-8-15/h2-8,10-13,17-20H,9H2,1H3/b6-5+/t17-,18-/m0/s1.
What are the key properties of (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol?
(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol has a molecular weight of 284.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol is sourced from PubChem (CID 10517184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).