2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid

C19H18O6 — CID 9448707

IUPAC2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
SMILESCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)O)c(OC)c1
InChIInChI=1S/C19H18O6/c1-23-16-6-4-3-5-13(16)7-9-15(20)14-8-10-17(18(11-14)24-2)25-12-19(21)22/h3-11H,12H2,1-2H3,(H,21,22)/b9-7+
InChIKeyHUQXTQSTPIFTSZ-VQHVLOKHSA-N
MW342.35 g/mol
LogP3.06
Rot. Bonds8

About 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid

2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid (PubChem CID 9448707) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
PubChem CID9448707
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
SMILESCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)O)c(OC)c1
InChIInChI=1S/C19H18O6/c1-23-16-6-4-3-5-13(16)7-9-15(20)14-8-10-17(18(11-14)24-2)25-12-19(21)22/h3-11H,12H2,1-2H3,(H,21,22)/b9-7+
InChIKeyHUQXTQSTPIFTSZ-VQHVLOKHSA-N
XLogP3.06
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 9448690
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
2-[[4-methoxy-6-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]oxy]acetic acid
CID 70306965
2-[4-[3-(3-fluorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 4988069
2-[2-methoxy-4-[(E)-3-thiophen-3-ylprop-2-enoyl]phenoxy]acetic acid
CID 9448715
2-[4-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 7973385
(E)-1-(3,4-dimethoxyphenyl)-3-(2-phenylphenyl)prop-2-en-1-one
CID 175745581
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 8856879
(E)-3-(2-bromophenyl)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 52644024
2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 3876210
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid (CID 9448707) is 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid is COc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)O)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid?
The InChIKey is HUQXTQSTPIFTSZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H18O6/c1-23-16-6-4-3-5-13(16)7-9-15(20)14-8-10-17(18(11-14)24-2)25-12-19(21)22/h3-11H,12H2,1-2H3,(H,21,22)/b9-7+.
What are the key properties of 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid?
2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid has a molecular weight of 342.35 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid is sourced from PubChem (CID 9448707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).