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

C19H18O4 — CID 7973015

IUPAC2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
SMILESCCc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C19H18O4/c1-2-14-3-5-15(6-4-14)7-12-18(20)16-8-10-17(11-9-16)23-13-19(21)22/h3-12H,2,13H2,1H3,(H,21,22)/b12-7+
InChIKeyXAVOXNKKFFXIID-KPKJPENVSA-N
MW310.35 g/mol
LogP3.61
Rot. Bonds7

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

2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid (PubChem CID 7973015) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
PubChem CID7973015
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
SMILESCCc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C19H18O4/c1-2-14-3-5-15(6-4-14)7-12-18(20)16-8-10-17(11-9-16)23-13-19(21)22/h3-12H,2,13H2,1H3,(H,21,22)/b12-7+
InChIKeyXAVOXNKKFFXIID-KPKJPENVSA-N
XLogP3.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9447721
disodium;4-[3-[4-(carboxymethoxy)phenyl]prop-2-enoyl]benzoic acid;hydride
CID 173442672
(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid
CID 92932031
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814820
2-[4-[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 24561750
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409
4-[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenyl]butanoic acid
CID 67802475
4-[4-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]butanoic acid
CID 67802477
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
CID 11727535
3-[4-[2-(4-ethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20993275
CID 70588806
CID 70588806

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid (CID 7973015) is 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid is CCc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid?
The InChIKey is XAVOXNKKFFXIID-KPKJPENVSA-N. The full InChI is InChI=1S/C19H18O4/c1-2-14-3-5-15(6-4-14)7-12-18(20)16-8-10-17(11-9-16)23-13-19(21)22/h3-12H,2,13H2,1H3,(H,21,22)/b12-7+.
What are the key properties of 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid?
2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid is sourced from PubChem (CID 7973015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).