(2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C23H20O5 — CID 7765917

IUPAC(2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCc2ccccc2Oc2ccccc2)ccc1O
InChIInChI=1S/C23H20O5/c1-26-22-15-17(11-13-20(22)24)12-14-23(25)27-16-18-7-5-6-10-21(18)28-19-8-3-2-4-9-19/h2-15,24H,16H2,1H3/b14-12+
InChIKeyQNAJBNIPSFBCGV-WYMLVPIESA-N
MW376.41 g/mol
LogP4.95
Rot. Bonds7

About (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 7765917) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID7765917
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name(2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCc2ccccc2Oc2ccccc2)ccc1O
InChIInChI=1S/C23H20O5/c1-26-22-15-17(11-13-20(22)24)12-14-23(25)27-16-18-7-5-6-10-21(18)28-19-8-3-2-4-9-19/h2-15,24H,16H2,1H3/b14-12+
InChIKeyQNAJBNIPSFBCGV-WYMLVPIESA-N
XLogP4.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 7766313
(4-hydroxy-3-methoxyphenyl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 175420100
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
CID 175420096
(2,4-dichlorophenyl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 4033006
2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 86717646
(4-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2551665
24-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11967021
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
(E)-2-[3-fluoro-4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 170438791
[3-(3,4-dihydroxyphenyl)-2-oxopropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5315876

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CID 7765917) is (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is COc1cc(/C=C/C(=O)OCc2ccccc2Oc2ccccc2)ccc1O.
What is the InChIKey of (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is QNAJBNIPSFBCGV-WYMLVPIESA-N. The full InChI is InChI=1S/C23H20O5/c1-26-22-15-17(11-13-20(22)24)12-14-23(25)27-16-18-7-5-6-10-21(18)28-19-8-3-2-4-9-19/h2-15,24H,16H2,1H3/b14-12+.
What are the key properties of (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
(2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 376.41 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7765917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).