(Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol

C19H18O3 — CID 134835424

IUPAC(Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol
SMILESCOC/C(=C(/O)c1ccccc1)C(O)C#Cc1ccccc1
InChIInChI=1S/C19H18O3/c1-22-14-17(19(21)16-10-6-3-7-11-16)18(20)13-12-15-8-4-2-5-9-15/h2-11,18,20-21H,14H2,1H3/b19-17-
InChIKeyZHBGYOPVABVJDH-ZPHPHTNESA-N
MW294.35 g/mol
LogP3.01
Rot. Bonds4

About (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol

(Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol (PubChem CID 134835424) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol.

Molecular Properties

Compound Name(Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol
PubChem CID134835424
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol
SMILESCOC/C(=C(/O)c1ccccc1)C(O)C#Cc1ccccc1
InChIInChI=1S/C19H18O3/c1-22-14-17(19(21)16-10-6-3-7-11-16)18(20)13-12-15-8-4-2-5-9-15/h2-11,18,20-21H,14H2,1H3/b19-17-
InChIKeyZHBGYOPVABVJDH-ZPHPHTNESA-N
XLogP3.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-2-diazo-3-hydroxy-5-phenylpent-4-ynoate
CID 135869335
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
(2S,3R)-5-phenylpent-4-yne-2,3-diol
CID 130992150
1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine
CID 130664194
1-[2-(1-hydroxy-3-phenylprop-2-ynyl)-4,5-dimethoxyphenyl]-3-phenylprop-2-yn-1-ol
CID 102084118
methyl (4S)-4-hydroxy-6-phenylhex-5-ynoate
CID 15659536
(4S)-4-hydroxy-6-phenylhex-5-yn-2-one
CID 130635679
(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene
CID 10730067
(4E)-10-methoxy-1-phenyl-4-[[2-(sulfanylmethyl)phenyl]methylidene]deca-1,5-diyn-3-ol
CID 10883666
ethyl (2S,3R)-2,3-dihydroxy-5-phenylpent-4-ynoate
CID 23248824
[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene
CID 138911269
1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol
CID 135073993

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol?
The IUPAC name of (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol (CID 134835424) is (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol.
What is the SMILES notation for (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol?
The canonical SMILES for (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol is COC/C(=C(/O)c1ccccc1)C(O)C#Cc1ccccc1.
What is the InChIKey of (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol?
The InChIKey is ZHBGYOPVABVJDH-ZPHPHTNESA-N. The full InChI is InChI=1S/C19H18O3/c1-22-14-17(19(21)16-10-6-3-7-11-16)18(20)13-12-15-8-4-2-5-9-15/h2-11,18,20-21H,14H2,1H3/b19-17-.
What are the key properties of (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol?
(Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol has a molecular weight of 294.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methoxymethyl)-1,5-diphenylpent-1-en-4-yne-1,3-diol is sourced from PubChem (CID 134835424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).