[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol

C27H40OSn — CID 12026187

IUPAC[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccccc1)c1ccccc1CO
InChIInChI=1S/C15H13O.3C4H9.Sn/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13;3*1-3-4-2;/h1-10,16H,12H2;3*1,3-4H2,2H3;
InChIKeyDXVHYDSOVFQHQB-UHFFFAOYSA-N
MW499.33 g/mol
LogP8.11
Rot. Bonds13

About [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol

[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol (PubChem CID 12026187) has the molecular formula C27H40OSn and a molecular weight of 499.33 g/mol. Its IUPAC name is [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol
PubChem CID12026187
Molecular FormulaC27H40OSn
Molecular Weight499.33 g/mol
Exact Mass500.21
IUPAC Name[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccccc1)c1ccccc1CO
InChIInChI=1S/C15H13O.3C4H9.Sn/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13;3*1-3-4-2;/h1-10,16H,12H2;3*1,3-4H2,2H3;
InChIKeyDXVHYDSOVFQHQB-UHFFFAOYSA-N
XLogP8.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.33
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
tributyl-[(E)-1-butyltellanyl-2-phenylethenyl]stannane
CID 10507405
tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane
CID 170459763
4-[(E)-2-[4-(dimethylamino)phenyl]-2-tributylstannylethenyl]-N,N-dimethylaniline
CID 171661574
[3-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]phenyl]methanol
CID 171989958
tributyl-[(2E,4Z)-5-phenylpenta-2,4-dien-2-yl]stannane
CID 11212663
[(Z)-3-phenyl-2-tributylstannylprop-2-enoxy]-tri(propan-2-yl)silane
CID 134950737
trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane
CID 177407305
2-(hydroxymethyl)phenol;pentane
CID 70619203
tributyl(1-naphthalen-1-ylethenyl)stannane
CID 164897837
[(1E,3E)-2-methylocta-1,3-dienyl]benzene
CID 15953217
1-butoxybutane;[2-(hydroxymethyl)phenyl]-phenylmethanone
CID 174672738

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol?
The IUPAC name of [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol (CID 12026187) is [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol.
What is the SMILES notation for [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol?
The canonical SMILES for [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol is CCCC[Sn](CCCC)(CCCC)/C(=C/c1ccccc1)c1ccccc1CO.
What is the InChIKey of [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol?
The InChIKey is DXVHYDSOVFQHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O.3C4H9.Sn/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13;3*1-3-4-2;/h1-10,16H,12H2;3*1,3-4H2,2H3;.
What are the key properties of [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol?
[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol has a molecular weight of 499.33 g/mol, XLogP of 8.11, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol is sourced from PubChem (CID 12026187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).