3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid

C19H20GeO3 — CID 10067649

IUPAC3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid
SMILESC[Ge](C)(C)c1cccc(C(=O)/C=C/c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C19H20GeO3/c1-20(2,3)17-9-5-7-15(13-17)18(21)11-10-14-6-4-8-16(12-14)19(22)23/h4-13H,1-3H3,(H,22,23)/b11-10+
InChIKeyWXPTWIRRGYUHES-ZHACJKMWSA-N
MW368.98 g/mol
LogP3.83
Rot. Bonds5

About 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid

3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid (PubChem CID 10067649) has the molecular formula C19H20GeO3 and a molecular weight of 368.98 g/mol. Its IUPAC name is 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid
PubChem CID10067649
Molecular FormulaC19H20GeO3
Molecular Weight368.98 g/mol
Exact Mass370.06
IUPAC Name3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid
SMILESC[Ge](C)(C)c1cccc(C(=O)/C=C/c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C19H20GeO3/c1-20(2,3)17-9-5-7-15(13-17)18(21)11-10-14-6-4-8-16(12-14)19(22)23/h4-13H,1-3H3,(H,22,23)/b11-10+
InChIKeyWXPTWIRRGYUHES-ZHACJKMWSA-N
XLogP3.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.98
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
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(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one
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3-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]benzoic acid
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3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
3-[3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-oxoprop-1-enyl]benzoic acid
CID 126801695
3-(2-methylprop-1-enyl)benzoic acid
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3-(2-bromoethenyl)benzoic acid
CID 151248021
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
4-[(E)-3-(3-tert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 14523637

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid?
The IUPAC name of 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid (CID 10067649) is 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid?
The canonical SMILES for 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid is C[Ge](C)(C)c1cccc(C(=O)/C=C/c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid?
The InChIKey is WXPTWIRRGYUHES-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20GeO3/c1-20(2,3)17-9-5-7-15(13-17)18(21)11-10-14-6-4-8-16(12-14)19(22)23/h4-13H,1-3H3,(H,22,23)/b11-10+.
What are the key properties of 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid?
3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid has a molecular weight of 368.98 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-oxo-3-(3-trimethylgermylphenyl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 10067649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).