ethene;2-hydroxy-3-methoxybenzaldehyde

C12H16O3 — CID 175162627

IUPACethene;2-hydroxy-3-methoxybenzaldehyde
SMILESC=C.C=C.COc1cccc(C=O)c1O
InChIInChI=1S/C8H8O3.2C2H4/c1-11-7-4-2-3-6(5-9)8(7)10;2*1-2/h2-5,10H,1H3;2*1-2H2
InChIKeyPHDDCDZUJRLPNU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.82
Rot. Bonds2

About ethene;2-hydroxy-3-methoxybenzaldehyde

ethene;2-hydroxy-3-methoxybenzaldehyde (PubChem CID 175162627) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethene;2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Nameethene;2-hydroxy-3-methoxybenzaldehyde
PubChem CID175162627
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethene;2-hydroxy-3-methoxybenzaldehyde
SMILESC=C.C=C.COc1cccc(C=O)c1O
InChIInChI=1S/C8H8O3.2C2H4/c1-11-7-4-2-3-6(5-9)8(7)10;2*1-2/h2-5,10H,1H3;2*1-2H2
InChIKeyPHDDCDZUJRLPNU-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
CID 19867153
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
CID 160668969
2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
CID 175442040
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-hydroxy-3-(2-methylphenoxy)benzaldehyde
CID 13066661
S-(2-formyl-6-methoxyphenyl) ethanethioate
CID 91264360

Frequently Asked Questions

What is the IUPAC name of ethene;2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of ethene;2-hydroxy-3-methoxybenzaldehyde (CID 175162627) is ethene;2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for ethene;2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for ethene;2-hydroxy-3-methoxybenzaldehyde is C=C.C=C.COc1cccc(C=O)c1O.
What is the InChIKey of ethene;2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is PHDDCDZUJRLPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.2C2H4/c1-11-7-4-2-3-6(5-9)8(7)10;2*1-2/h2-5,10H,1H3;2*1-2H2.
What are the key properties of ethene;2-hydroxy-3-methoxybenzaldehyde?
ethene;2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 208.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 175162627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).