ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate

C19H20O4 — CID 92840869

IUPACethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H20O4/c1-3-22-19(20)12-10-15-9-11-17(18(13-15)21-2)23-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3/b12-10-
InChIKeyMANFNAQSNYBICG-BENRWUELSA-N
MW312.37 g/mol
LogP3.85
Rot. Bonds7

About ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate

ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 92840869) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID92840869
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H20O4/c1-3-22-19(20)12-10-15-9-11-17(18(13-15)21-2)23-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3/b12-10-
InChIKeyMANFNAQSNYBICG-BENRWUELSA-N
XLogP3.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
(2-bromo-4-methylphenyl) (E)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 19184950
benzyl (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoate
CID 42978024
ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)but-2-enoate
CID 23087678
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 92531543
N-[4-(3-methoxy-4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
CID 739210
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate (CID 92840869) is ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate is CCOC(=O)/C=C\c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is MANFNAQSNYBICG-BENRWUELSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-22-19(20)12-10-15-9-11-17(18(13-15)21-2)23-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3/b12-10-.
What are the key properties of ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate?
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 92840869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).