5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde

C18H20N2O3 — CID 139070161

IUPAC5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
SMILESCCCCc1ccc(/N=N/c2cc(C=O)c(O)c(OC)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-4-5-13-6-8-15(9-7-13)19-20-16-10-14(12-21)18(22)17(11-16)23-2/h6-12,22H,3-5H2,1-2H3/b20-19+
InChIKeyAEICFRKOMXHKJK-FMQUCBEESA-N
MW312.37 g/mol
LogP4.97
Rot. Bonds7

About 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde

5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 139070161) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
PubChem CID139070161
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
SMILESCCCCc1ccc(/N=N/c2cc(C=O)c(O)c(OC)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-4-5-13-6-8-15(9-7-13)19-20-16-10-14(12-21)18(22)17(11-16)23-2/h6-12,22H,3-5H2,1-2H3/b20-19+
InChIKeyAEICFRKOMXHKJK-FMQUCBEESA-N
XLogP4.97
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
4-[4-[(4-butylphenyl)diazenyl]phenyl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]butanamide
CID 146173834
2-[(4-ethylphenyl)iminomethyl]-6-methoxy-4-phenyldiazenylphenol
CID 137266716
5,11,17,23-tetrakis[(4-butylphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136679491
bis(4-decylphenyl)diazene
CID 71359462
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
5,11,17,23-tetrakis[(4-octylphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136679492
2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
CID 89289969
4-[(4-hexylphenyl)diazenyl]-2-[2-[[5-[(4-hexylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]ethyliminomethyl]phenol
CID 136883501
bis[4-[(4-butylphenyl)diazenyl]-3,5-dimethylphenyl]diazene
CID 100995300
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde (CID 139070161) is 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde is CCCCc1ccc(/N=N/c2cc(C=O)c(O)c(OC)c2)cc1.
What is the InChIKey of 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is AEICFRKOMXHKJK-FMQUCBEESA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-4-5-13-6-8-15(9-7-13)19-20-16-10-14(12-21)18(22)17(11-16)23-2/h6-12,22H,3-5H2,1-2H3/b20-19+.
What are the key properties of 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde?
5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 312.37 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 139070161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).