2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde

C16H14O3 — CID 15189859

IUPAC2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
SMILESCOc1ccc(/C=C/c2ccc(O)c(C=O)c2)cc1
InChIInChI=1S/C16H14O3/c1-19-15-7-4-12(5-8-15)2-3-13-6-9-16(18)14(10-13)11-17/h2-11,18H,1H3/b3-2+
InChIKeyHSXBOBUMFCHAPO-NSCUHMNNSA-N
MW254.28 g/mol
LogP3.38
Rot. Bonds4

About 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde

2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde (PubChem CID 15189859) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
PubChem CID15189859
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
SMILESCOc1ccc(/C=C/c2ccc(O)c(C=O)c2)cc1
InChIInChI=1S/C16H14O3/c1-19-15-7-4-12(5-8-15)2-3-13-6-9-16(18)14(10-13)11-17/h2-11,18H,1H3/b3-2+
InChIKeyHSXBOBUMFCHAPO-NSCUHMNNSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde
CID 139586286
3-fluoro-2-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 175076410
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
CID 130034455
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]cyclohepta-2,4,6-trien-1-one
CID 12681155
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-hydroxy-5-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]benzaldehyde
CID 21338011
2-hydroxy-5-(4-oxobut-1-enyl)benzaldehyde
CID 170481700
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
CID 59104271
5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-2-hydroxybenzaldehyde
CID 122476274
ethyl (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoate
CID 10775274

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde?
The IUPAC name of 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde (CID 15189859) is 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde is COc1ccc(/C=C/c2ccc(O)c(C=O)c2)cc1.
What is the InChIKey of 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde?
The InChIKey is HSXBOBUMFCHAPO-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-15-7-4-12(5-8-15)2-3-13-6-9-16(18)14(10-13)11-17/h2-11,18H,1H3/b3-2+.
What are the key properties of 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde?
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde has a molecular weight of 254.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 15189859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).