(Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol

C28H42O3Sn — CID 16686478

IUPAC(Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)O/C(=C\C(O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C16H16O3.3C4H9.Sn/c1-19-14-9-7-13(8-10-14)16(18)11-15(17)12-5-3-2-4-6-12;3*1-3-4-2;/h2-11,16-18H,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/b15-11-;;;;
InChIKeySGJWNCRCPXMBGP-QWACRYFTSA-M
MW545.35 g/mol
LogP8.13
Rot. Bonds15

About (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol

(Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol (PubChem CID 16686478) has the molecular formula C28H42O3Sn and a molecular weight of 545.35 g/mol. Its IUPAC name is (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol
PubChem CID16686478
Molecular FormulaC28H42O3Sn
Molecular Weight545.35 g/mol
Exact Mass546.22
IUPAC Name(Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)O/C(=C\C(O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C16H16O3.3C4H9.Sn/c1-19-14-9-7-13(8-10-14)16(18)11-15(17)12-5-3-2-4-6-12;3*1-3-4-2;/h2-11,16-18H,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/b15-11-;;;;
InChIKeySGJWNCRCPXMBGP-QWACRYFTSA-M
XLogP8.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.35
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol
CID 177392533
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
CID 57080555
tributyl-(4-methoxyphenyl)stannane
CID 2762547
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene
CID 173101093
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol?
The IUPAC name of (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol (CID 16686478) is (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol.
What is the SMILES notation for (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol?
The canonical SMILES for (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol is CCCC[Sn](CCCC)(CCCC)O/C(=C\C(O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol?
The InChIKey is SGJWNCRCPXMBGP-QWACRYFTSA-M. The full InChI is InChI=1S/C16H16O3.3C4H9.Sn/c1-19-14-9-7-13(8-10-14)16(18)11-15(17)12-5-3-2-4-6-12;3*1-3-4-2;/h2-11,16-18H,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/b15-11-;;;;.
What are the key properties of (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol?
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol has a molecular weight of 545.35 g/mol, XLogP of 8.13, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol is sourced from PubChem (CID 16686478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).