sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate

C24H19NaO3 — CID 23665148

IUPACsodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate
SMILESO=C([O-])/C=C/c1ccccc1/C=C/Cc1cccc(Oc2ccccc2)c1.[Na+]
InChIInChI=1S/C24H20O3.Na/c25-24(26)17-16-21-11-5-4-10-20(21)12-6-8-19-9-7-15-23(18-19)27-22-13-2-1-3-14-22;/h1-7,9-18H,8H2,(H,25,26);/q;+1/p-1/b12-6+,17-16+;
InChIKeyIGCFMDUGZJBXJR-OWKAZTCGSA-M
MW378.40 g/mol
LogP1.50
Rot. Bonds7

About sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate

sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate (PubChem CID 23665148) has the molecular formula C24H19NaO3 and a molecular weight of 378.40 g/mol. Its IUPAC name is sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namesodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate
PubChem CID23665148
Molecular FormulaC24H19NaO3
Molecular Weight378.40 g/mol
Exact Mass378.12
IUPAC Namesodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate
SMILESO=C([O-])/C=C/c1ccccc1/C=C/Cc1cccc(Oc2ccccc2)c1.[Na+]
InChIInChI=1S/C24H20O3.Na/c25-24(26)17-16-21-11-5-4-10-20(21)12-6-8-19-9-7-15-23(18-19)27-22-13-2-1-3-14-22;/h1-7,9-18H,8H2,(H,25,26);/q;+1/p-1/b12-6+,17-16+;
InChIKeyIGCFMDUGZJBXJR-OWKAZTCGSA-M
XLogP1.50
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoic acid
CID 70238101
(E)-4-(3-phenoxyphenyl)but-2-enoic acid
CID 12054491
disodium;3-[2-(2-carboxylatoethenyl)phenyl]prop-2-enoate
CID 163359031
1-pent-2-enyl-3-phenoxybenzene
CID 70370206
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
3-[2-[3-(3-phenoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
CID 70192323
2-oxo-4-(3-phenoxyphenyl)butanoic acid
CID 82185753
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
CID 174876749
CID 174876749
sodium (E)-3-(2-phenylphenyl)prop-2-enoate
CID 171935641

Frequently Asked Questions

What is the IUPAC name of sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate?
The IUPAC name of sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate (CID 23665148) is sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate.
What is the SMILES notation for sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate?
The canonical SMILES for sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate is O=C([O-])/C=C/c1ccccc1/C=C/Cc1cccc(Oc2ccccc2)c1.[Na+].
What is the InChIKey of sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate?
The InChIKey is IGCFMDUGZJBXJR-OWKAZTCGSA-M. The full InChI is InChI=1S/C24H20O3.Na/c25-24(26)17-16-21-11-5-4-10-20(21)12-6-8-19-9-7-15-23(18-19)27-22-13-2-1-3-14-22;/h1-7,9-18H,8H2,(H,25,26);/q;+1/p-1/b12-6+,17-16+;.
What are the key properties of sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate?
sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate has a molecular weight of 378.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (E)-3-[2-[(E)-3-(3-phenoxyphenyl)prop-1-enyl]phenyl]prop-2-enoate is sourced from PubChem (CID 23665148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).