2-hydroxybenzaldehyde;2-methoxyaniline

C14H15NO3 — CID 174410348

IUPAC2-hydroxybenzaldehyde;2-methoxyaniline
SMILESCOc1ccccc1N.O=Cc1ccccc1O
InChIInChI=1S/C7H9NO.C7H6O2/c1-9-7-5-3-2-4-6(7)8;8-5-6-3-1-2-4-7(6)9/h2-5H,8H2,1H3;1-5,9H
InChIKeyRHGRPOMDLVOPAK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.48
Rot. Bonds2

About 2-hydroxybenzaldehyde;2-methoxyaniline

2-hydroxybenzaldehyde;2-methoxyaniline (PubChem CID 174410348) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;2-methoxyaniline.

Molecular Properties

Compound Name2-hydroxybenzaldehyde;2-methoxyaniline
PubChem CID174410348
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-hydroxybenzaldehyde;2-methoxyaniline
SMILESCOc1ccccc1N.O=Cc1ccccc1O
InChIInChI=1S/C7H9NO.C7H6O2/c1-9-7-5-3-2-4-6(7)8;8-5-6-3-1-2-4-7(6)9/h2-5H,8H2,1H3;1-5,9H
InChIKeyRHGRPOMDLVOPAK-UHFFFAOYSA-N
XLogP2.48
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-methoxyaniline;dihydrochloride
CID 69020746
CID 158421076
CID 158421076
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
2-hydroxy-3-methoxybenzaldehyde
CID 8991
aniline;2-hydroxybenzaldehyde
CID 159847329
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
ethene;2-hydroxybenzaldehyde
CID 23043417

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;2-methoxyaniline?
The IUPAC name of 2-hydroxybenzaldehyde;2-methoxyaniline (CID 174410348) is 2-hydroxybenzaldehyde;2-methoxyaniline.
What is the SMILES notation for 2-hydroxybenzaldehyde;2-methoxyaniline?
The canonical SMILES for 2-hydroxybenzaldehyde;2-methoxyaniline is COc1ccccc1N.O=Cc1ccccc1O.
What is the InChIKey of 2-hydroxybenzaldehyde;2-methoxyaniline?
The InChIKey is RHGRPOMDLVOPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C7H6O2/c1-9-7-5-3-2-4-6(7)8;8-5-6-3-1-2-4-7(6)9/h2-5H,8H2,1H3;1-5,9H.
What are the key properties of 2-hydroxybenzaldehyde;2-methoxyaniline?
2-hydroxybenzaldehyde;2-methoxyaniline has a molecular weight of 245.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;2-methoxyaniline is sourced from PubChem (CID 174410348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).