(E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid

C19H20O4 — CID 6033776

IUPAC(E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
SMILESCCc1cccc(OCc2cc(/C=C/C(=O)O)ccc2OC)c1
InChIInChI=1S/C19H20O4/c1-3-14-5-4-6-17(12-14)23-13-16-11-15(8-10-19(20)21)7-9-18(16)22-2/h4-12H,3,13H2,1-2H3,(H,20,21)/b10-8+
InChIKeyQNNNPJSZJCTNPK-CSKARUKUSA-N
MW312.37 g/mol
LogP3.93
Rot. Bonds7

About (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid

(E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid (PubChem CID 6033776) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
PubChem CID6033776
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
SMILESCCc1cccc(OCc2cc(/C=C/C(=O)O)ccc2OC)c1
InChIInChI=1S/C19H20O4/c1-3-14-5-4-6-17(12-14)23-13-16-11-15(8-10-19(20)21)7-9-18(16)22-2/h4-12H,3,13H2,1-2H3,(H,20,21)/b10-8+
InChIKeyQNNNPJSZJCTNPK-CSKARUKUSA-N
XLogP3.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.93
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-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64765116
(E)-1-(3-bromophenyl)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-en-1-one
CID 19550943
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
(E)-3-[3-[(2-cyanophenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 6033471
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
(E)-3-[3-[(2-acetyl-4-methylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 6033497
3-[3-[(2-acetyl-4-methylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 4194844
3-[4-methoxy-3-(pentoxymethyl)phenyl]prop-2-enoic acid
CID 76908991
(E)-3-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22681029
(E)-3-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 19564846
(E)-1-(3,4-dichlorophenyl)-3-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19569109

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid (CID 6033776) is (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid is CCc1cccc(OCc2cc(/C=C/C(=O)O)ccc2OC)c1.
What is the InChIKey of (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid?
The InChIKey is QNNNPJSZJCTNPK-CSKARUKUSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-14-5-4-6-17(12-14)23-13-16-11-15(8-10-19(20)21)7-9-18(16)22-2/h4-12H,3,13H2,1-2H3,(H,20,21)/b10-8+.
What are the key properties of (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid?
(E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid is sourced from PubChem (CID 6033776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).