actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid

C16H14AcO3 — CID 59099672

IUPACactinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C=C(/C(=O)O)c2ccc(O)cc2)cc1.[Ac]
InChIInChI=1S/C16H14O3.Ac/c1-11-2-4-12(5-3-11)10-15(16(18)19)13-6-8-14(17)9-7-13;/h2-10,17H,1H3,(H,18,19);/b15-10+;
InChIKeyHVZPHSILGFBKSP-GYVLLFFHSA-N
MW481.29 g/mol
LogP3.33
Rot. Bonds3

About actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid

actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid (PubChem CID 59099672) has the molecular formula C16H14AcO3 and a molecular weight of 481.29 g/mol. Its IUPAC name is actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Nameactinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
PubChem CID59099672
Molecular FormulaC16H14AcO3
Molecular Weight481.29 g/mol
Exact Mass481.12
IUPAC Nameactinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C=C(/C(=O)O)c2ccc(O)cc2)cc1.[Ac]
InChIInChI=1S/C16H14O3.Ac/c1-11-2-4-12(5-3-11)10-15(16(18)19)13-6-8-14(17)9-7-13;/h2-10,17H,1H3,(H,18,19);/b15-10+;
InChIKeyHVZPHSILGFBKSP-GYVLLFFHSA-N
XLogP3.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-3-methylphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 68771969
(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951842
4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
CID 59197895
(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
CID 83953773
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-2-ylprop-2-enoic acid
CID 67704998
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
CID 83953215
(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 5378867
(Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid
CID 83952437
2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
CID 54302276
(Z)-2-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950751
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730

Frequently Asked Questions

What is the IUPAC name of actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The IUPAC name of actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid (CID 59099672) is actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid is Cc1ccc(/C=C(/C(=O)O)c2ccc(O)cc2)cc1.[Ac].
What is the InChIKey of actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The InChIKey is HVZPHSILGFBKSP-GYVLLFFHSA-N. The full InChI is InChI=1S/C16H14O3.Ac/c1-11-2-4-12(5-3-11)10-15(16(18)19)13-6-8-14(17)9-7-13;/h2-10,17H,1H3,(H,18,19);/b15-10+;.
What are the key properties of actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid has a molecular weight of 481.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 59099672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).