2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol

C16H14N2O2 — CID 867421

IUPAC2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
SMILESCOc1ccc(/N=C/c2[nH]c3ccccc3c2O)cc1
InChIInChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)17-10-15-16(19)13-4-2-3-5-14(13)18-15/h2-10,18-19H,1H3/b17-10+
InChIKeyBKDDBUVLFGHNRQ-LICLKQGHSA-N
MW266.30 g/mol
LogP3.63
Rot. Bonds3

About 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol

2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol (PubChem CID 867421) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
PubChem CID867421
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
SMILESCOc1ccc(/N=C/c2[nH]c3ccccc3c2O)cc1
InChIInChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)17-10-15-16(19)13-4-2-3-5-14(13)18-15/h2-10,18-19H,1H3/b17-10+
InChIKeyBKDDBUVLFGHNRQ-LICLKQGHSA-N
XLogP3.63
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
CID 137107988
1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
CID 870605
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol
CID 135462299
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene
CID 137148122
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 137098219
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol?
The IUPAC name of 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol (CID 867421) is 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol is COc1ccc(/N=C/c2[nH]c3ccccc3c2O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol?
The InChIKey is BKDDBUVLFGHNRQ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)17-10-15-16(19)13-4-2-3-5-14(13)18-15/h2-10,18-19H,1H3/b17-10+.
What are the key properties of 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol?
2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol has a molecular weight of 266.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol is sourced from PubChem (CID 867421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).