2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde

C14H13NO3 — CID 19980734

IUPAC2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde
SMILESCc1cc(O)c(C=O)c(Nc2cccc(O)c2)c1
InChIInChI=1S/C14H13NO3/c1-9-5-13(12(8-16)14(18)6-9)15-10-3-2-4-11(17)7-10/h2-8,15,17-18H,1H3
InChIKeyBVWYVRVNZRTUSQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.96
Rot. Bonds3

About 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde

2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde (PubChem CID 19980734) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde
PubChem CID19980734
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde
SMILESCc1cc(O)c(C=O)c(Nc2cccc(O)c2)c1
InChIInChI=1S/C14H13NO3/c1-9-5-13(12(8-16)14(18)6-9)15-10-3-2-4-11(17)7-10/h2-8,15,17-18H,1H3
InChIKeyBVWYVRVNZRTUSQ-UHFFFAOYSA-N
XLogP2.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylanilino)phenol
CID 53407688
3-(2-methoxyanilino)phenol
CID 82537348
4,5-bis(3-hydroxyanilino)benzene-1,2-dicarboxamide
CID 22076446
2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
CID 115028979
3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride
CID 2790794
5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one
CID 115029941
3-(2-fluoroanilino)phenol
CID 82537350
N'-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)oxamide
CID 45000850
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
(2-formyl-3-hydroxyphenyl)carbamic acid
CID 90457629
2-hydroxy-5-methylbenzaldehyde;3-methylphenol
CID 87684857

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde?
The IUPAC name of 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde (CID 19980734) is 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde?
The canonical SMILES for 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde is Cc1cc(O)c(C=O)c(Nc2cccc(O)c2)c1.
What is the InChIKey of 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde?
The InChIKey is BVWYVRVNZRTUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-5-13(12(8-16)14(18)6-9)15-10-3-2-4-11(17)7-10/h2-8,15,17-18H,1H3.
What are the key properties of 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde?
2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde is sourced from PubChem (CID 19980734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).