6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde

C16H16O3 — CID 91468164

IUPAC6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCCc1ccccc1-c1ccc(OC)c(O)c1C=O
InChIInChI=1S/C16H16O3/c1-3-11-6-4-5-7-12(11)13-8-9-15(19-2)16(18)14(13)10-17/h4-10,18H,3H2,1-2H3
InChIKeyAZMXSFISXATNAS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.44
Rot. Bonds4

About 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde

6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 91468164) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
PubChem CID91468164
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCCc1ccccc1-c1ccc(OC)c(O)c1C=O
InChIInChI=1S/C16H16O3/c1-3-11-6-4-5-7-12(11)13-8-9-15(19-2)16(18)14(13)10-17/h4-10,18H,3H2,1-2H3
InChIKeyAZMXSFISXATNAS-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde (CID 91468164) is 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde is CCc1ccccc1-c1ccc(OC)c(O)c1C=O.
What is the InChIKey of 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is AZMXSFISXATNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-11-6-4-5-7-12(11)13-8-9-15(19-2)16(18)14(13)10-17/h4-10,18H,3H2,1-2H3.
What are the key properties of 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde?
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 91468164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).