2-[(E)-2-hydroxyethenyl]benzaldehyde

C9H8O2 — CID 98052908

IUPAC2-[(E)-2-hydroxyethenyl]benzaldehyde
SMILESO=Cc1ccccc1/C=C/O
InChIInChI=1S/C9H8O2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-7,10H/b6-5+
InChIKeyFWNXURGEHOVICL-AATRIKPKSA-N
MW148.16 g/mol
LogP2.03
Rot. Bonds2

About 2-[(E)-2-hydroxyethenyl]benzaldehyde

2-[(E)-2-hydroxyethenyl]benzaldehyde (PubChem CID 98052908) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-[(E)-2-hydroxyethenyl]benzaldehyde.

Molecular Properties

Compound Name2-[(E)-2-hydroxyethenyl]benzaldehyde
PubChem CID98052908
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-[(E)-2-hydroxyethenyl]benzaldehyde
SMILESO=Cc1ccccc1/C=C/O
InChIInChI=1S/C9H8O2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-7,10H/b6-5+
InChIKeyFWNXURGEHOVICL-AATRIKPKSA-N
XLogP2.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

dihydroxy(dioxo)chromium;phthalaldehyde
CID 174903240
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
CID 158421076
CID 158421076
2-(2-bromophenyl)ethenol
CID 174465941
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
2-[(E)-2-phenylethenyl]benzaldehyde;yttrium
CID 155769853

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-hydroxyethenyl]benzaldehyde?
The IUPAC name of 2-[(E)-2-hydroxyethenyl]benzaldehyde (CID 98052908) is 2-[(E)-2-hydroxyethenyl]benzaldehyde.
What is the SMILES notation for 2-[(E)-2-hydroxyethenyl]benzaldehyde?
The canonical SMILES for 2-[(E)-2-hydroxyethenyl]benzaldehyde is O=Cc1ccccc1/C=C/O.
What is the InChIKey of 2-[(E)-2-hydroxyethenyl]benzaldehyde?
The InChIKey is FWNXURGEHOVICL-AATRIKPKSA-N. The full InChI is InChI=1S/C9H8O2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-7,10H/b6-5+.
What are the key properties of 2-[(E)-2-hydroxyethenyl]benzaldehyde?
2-[(E)-2-hydroxyethenyl]benzaldehyde has a molecular weight of 148.16 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-hydroxyethenyl]benzaldehyde is sourced from PubChem (CID 98052908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).