methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate

C17H15ClO3 — CID 17245052

IUPACmethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClO3/c1-20-17(19)11-8-13-6-9-15(10-7-13)21-12-14-4-2-3-5-16(14)18/h2-11H,12H2,1H3/b11-8+
InChIKeyAOJKZOHYMUBWCJ-DHZHZOJOSA-N
MW302.76 g/mol
LogP4.11
Rot. Bonds5

About methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate

methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate (PubChem CID 17245052) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
PubChem CID17245052
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Namemethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClO3/c1-20-17(19)11-8-13-6-9-15(10-7-13)21-12-14-4-2-3-5-16(14)18/h2-11H,12H2,1H3/b11-8+
InChIKeyAOJKZOHYMUBWCJ-DHZHZOJOSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.11
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

ethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684542
methyl (E)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245057
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 131847800
[2-(2-methoxyanilino)-2-oxoethyl] 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 3564860
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 1194598
(4-chlorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4050081
(4-fluorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 3526396
[[(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoyl]amino]thiourea
CID 102535052
1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-pyridin-2-ylpenta-1,4-dien-3-one
CID 141480414
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 6998811
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate (CID 17245052) is methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The InChIKey is AOJKZOHYMUBWCJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-20-17(19)11-8-13-6-9-15(10-7-13)21-12-14-4-2-3-5-16(14)18/h2-11H,12H2,1H3/b11-8+.
What are the key properties of methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate?
methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate has a molecular weight of 302.76 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 17245052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).