2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol

C21H21NO4 — CID 156730130

IUPAC2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol
SMILESCO.COc1cccc(-c2ccc(Nc3ccccc3C=O)c(O)c2)c1
InChIInChI=1S/C20H17NO3.CH4O/c1-24-17-7-4-6-14(11-17)15-9-10-19(20(23)12-15)21-18-8-3-2-5-16(18)13-22;1-2/h2-13,21,23H,1H3;2H,1H3
InChIKeyXPQWVOAPDBUSPC-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.23
Rot. Bonds5

About 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol

2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol (PubChem CID 156730130) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol.

Molecular Properties

Compound Name2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol
PubChem CID156730130
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol
SMILESCO.COc1cccc(-c2ccc(Nc3ccccc3C=O)c(O)c2)c1
InChIInChI=1S/C20H17NO3.CH4O/c1-24-17-7-4-6-14(11-17)15-9-10-19(20(23)12-15)21-18-8-3-2-5-16(18)13-22;1-2/h2-13,21,23H,1H3;2H,1H3
InChIKeyXPQWVOAPDBUSPC-UHFFFAOYSA-N
XLogP4.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 53220512
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
2-(2,3-dimethylanilino)benzaldehyde
CID 15027376
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
4-(2-formylanilino)-3-methylbenzaldehyde
CID 89300511
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol?
The IUPAC name of 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol (CID 156730130) is 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol.
What is the SMILES notation for 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol?
The canonical SMILES for 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol is CO.COc1cccc(-c2ccc(Nc3ccccc3C=O)c(O)c2)c1.
What is the InChIKey of 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol?
The InChIKey is XPQWVOAPDBUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3.CH4O/c1-24-17-7-4-6-14(11-17)15-9-10-19(20(23)12-15)21-18-8-3-2-5-16(18)13-22;1-2/h2-13,21,23H,1H3;2H,1H3.
What are the key properties of 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol?
2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol has a molecular weight of 351.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol is sourced from PubChem (CID 156730130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).