(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C16H13ClO3 — CID 14204374

IUPAC(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO3/c17-14-6-1-13(2-7-14)11-20-16(19)10-5-12-3-8-15(18)9-4-12/h1-10,18H,11H2/b10-5+
InChIKeyMUYHIIGDDRGLIS-BJMVGYQFSA-N
MW288.73 g/mol
LogP3.80
Rot. Bonds4

About (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 14204374) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID14204374
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO3/c17-14-6-1-13(2-7-14)11-20-16(19)10-5-12-3-8-15(18)9-4-12/h1-10,18H,11H2/b10-5+
InChIKeyMUYHIIGDDRGLIS-BJMVGYQFSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.80
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

bis[(4-chlorophenyl)methyl] but-2-enedioate
CID 54391638
(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 118274615
(4-chlorophenyl)methyl 3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 4050081
hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 134285367
[4-[(E)-3-[(4-chlorophenyl)methoxy]-3-oxoprop-1-enyl]phenyl] 4-ethoxybenzoate
CID 132584492
[4-(3-nitrooxypropyl)phenyl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 59407321
propyl 3-(4-chlorophenyl)prop-2-enoate
CID 73010685
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
CID 101219702
(4-chlorophenyl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2240580
benzyl (E)-4-(4-chlorophenyl)-2-oxobut-3-enoate
CID 71623704
[2-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 90833706
3-oxobutyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 101432870

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 14204374) is (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(O)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is MUYHIIGDDRGLIS-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-14-6-1-13(2-7-14)11-20-16(19)10-5-12-3-8-15(18)9-4-12/h1-10,18H,11H2/b10-5+.
What are the key properties of (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 288.73 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 14204374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).