(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

C18H18O5 — CID 26688230

IUPAC(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)Oc2ccccc2OC)cc(OC)c1
InChIInChI=1S/C18H18O5/c1-20-14-10-13(11-15(12-14)21-2)8-9-18(19)23-17-7-5-4-6-16(17)22-3/h4-12H,1-3H3/b9-8+
InChIKeyHGCYWUAGJXWKFA-CMDGGOBGSA-N
MW314.34 g/mol
LogP3.33
Rot. Bonds6

About (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 26688230) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID26688230
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)Oc2ccccc2OC)cc(OC)c1
InChIInChI=1S/C18H18O5/c1-20-14-10-13(11-15(12-14)21-2)8-9-18(19)23-17-7-5-4-6-16(17)22-3/h4-12H,1-3H3/b9-8+
InChIKeyHGCYWUAGJXWKFA-CMDGGOBGSA-N
XLogP3.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) (E)-3-(3-bromophenyl)prop-2-enoate
CID 8778589
[3-methoxy-4-(3-phenylprop-2-enoyloxy)phenyl] 3-phenylprop-2-enoate
CID 123758297
3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 54421018
(E)-1-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 7947772
(3,4,5-trimethoxyphenyl) 3-phenylprop-2-enoate
CID 71323634
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665701
(4-nitrophenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 43013492
(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 26691631
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
(2-acetyl-3-methoxyphenyl) (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
CID 71569085
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
(4-cyano-2-methoxyphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2715605

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate (CID 26688230) is (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate is COc1cc(/C=C/C(=O)Oc2ccccc2OC)cc(OC)c1.
What is the InChIKey of (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is HGCYWUAGJXWKFA-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-14-10-13(11-15(12-14)21-2)8-9-18(19)23-17-7-5-4-6-16(17)22-3/h4-12H,1-3H3/b9-8+.
What are the key properties of (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 314.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 26688230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).