(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid

C19H20O4 — CID 83953773

IUPAC(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
SMILESCC(C)COc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H20O4/c1-13(2)12-23-17-9-3-14(4-10-17)11-18(19(21)22)15-5-7-16(20)8-6-15/h3-11,13,20H,12H2,1-2H3,(H,21,22)/b18-11-
InChIKeyWXDDFCLCGYWTNR-WQRHYEAKSA-N
MW312.37 g/mol
LogP4.05
Rot. Bonds6

About (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid

(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid (PubChem CID 83953773) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
PubChem CID83953773
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid
SMILESCC(C)COc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H20O4/c1-13(2)12-23-17-9-3-14(4-10-17)11-18(19(21)22)15-5-7-16(20)8-6-15/h3-11,13,20H,12H2,1-2H3,(H,21,22)/b18-11-
InChIKeyWXDDFCLCGYWTNR-WQRHYEAKSA-N
XLogP4.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.05
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-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951842
1-(2-methylprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 20609364
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
2-[[4-(2-methylpropoxy)benzoyl]amino]-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 3807557
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
(Z)-2-(4-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid
CID 83952582
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
(Z)-3-(3-butoxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83951529
2-(4-aminophenyl)-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 54230127

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid (CID 83953773) is (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid is CC(C)COc1ccc(/C=C(\C(=O)O)c2ccc(O)cc2)cc1.
What is the InChIKey of (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid?
The InChIKey is WXDDFCLCGYWTNR-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H20O4/c1-13(2)12-23-17-9-3-14(4-10-17)11-18(19(21)22)15-5-7-16(20)8-6-15/h3-11,13,20H,12H2,1-2H3,(H,21,22)/b18-11-.
What are the key properties of (Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid?
(Z)-2-(4-hydroxyphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid has a molecular weight of 312.37 g/mol, XLogP of 4.05, 6 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-(2-methylpropoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 83953773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).