[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol

C16H14N2O — CID 681868

IUPAC[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
SMILESOCc1cccc(/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H14N2O/c19-11-12-4-3-5-14(8-12)17-9-13-10-18-16-7-2-1-6-15(13)16/h1-10,18-19H,11H2/b17-9+
InChIKeyBIMCJBOQEZBXNC-RQZCQDPDSA-N
MW250.30 g/mol
LogP3.41
Rot. Bonds3

About [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol

[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol (PubChem CID 681868) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
PubChem CID681868
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
SMILESOCc1cccc(/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H14N2O/c19-11-12-4-3-5-14(8-12)17-9-13-10-18-16-7-2-1-6-15(13)16/h1-10,18-19H,11H2/b17-9+
InChIKeyBIMCJBOQEZBXNC-RQZCQDPDSA-N
XLogP3.41
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
CID 139080072
1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
CID 3742458
[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol
CID 793154
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 3459519
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741
[3-(naphthalen-2-ylmethylideneamino)phenyl]methanol
CID 786243
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
2-(1H-indol-3-ylmethylideneamino)benzonitrile
CID 686965
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
CID 135717367

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol?
The IUPAC name of [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol (CID 681868) is [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol.
What is the SMILES notation for [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol?
The canonical SMILES for [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol is OCc1cccc(/N=C/c2c[nH]c3ccccc23)c1.
What is the InChIKey of [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol?
The InChIKey is BIMCJBOQEZBXNC-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N2O/c19-11-12-4-3-5-14(8-12)17-9-13-10-18-16-7-2-1-6-15(13)16/h1-10,18-19H,11H2/b17-9+.
What are the key properties of [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol?
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol has a molecular weight of 250.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-ylmethylideneamino)phenyl]methanol is sourced from PubChem (CID 681868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).