(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid

C18H18O4 — CID 83951842

IUPAC(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESCC(C)Oc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O4/c1-12(2)22-16-9-3-13(4-10-16)11-17(18(20)21)14-5-7-15(19)8-6-14/h3-12,19H,1-2H3,(H,20,21)/b17-11-
InChIKeyMOADGDOKEPURLD-BOPFTXTBSA-N
MW298.34 g/mol
LogP3.80
Rot. Bonds5

About (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid

(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid (PubChem CID 83951842) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
PubChem CID83951842
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESCC(C)Oc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O4/c1-12(2)22-16-9-3-13(4-10-16)11-17(18(20)21)14-5-7-15(19)8-6-14/h3-12,19H,1-2H3,(H,20,21)/b17-11-
InChIKeyMOADGDOKEPURLD-BOPFTXTBSA-N
XLogP3.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
CID 83953773
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672
(Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83952197
(Z)-2-(2,5-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951821
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
ethane;4-propan-2-yloxyphenol
CID 142348653
4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429
(Z)-3-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83953971
3-hydroxy-4-[[(E)-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 108766501
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-2-ylprop-2-enoic acid
CID 67704998
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
(Z)-3-(4-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239549

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid (CID 83951842) is (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid is CC(C)Oc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1.
What is the InChIKey of (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid?
The InChIKey is MOADGDOKEPURLD-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H18O4/c1-12(2)22-16-9-3-13(4-10-16)11-17(18(20)21)14-5-7-15(19)8-6-14/h3-12,19H,1-2H3,(H,20,21)/b17-11-.
What are the key properties of (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid?
(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83951842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).