methanol;3-phenyl-1H-indole-2-carbaldehyde

C16H15NO2 — CID 143036487

IUPACmethanol;3-phenyl-1H-indole-2-carbaldehyde
SMILESCO.O=Cc1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C15H11NO.CH4O/c17-10-14-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14;1-2/h1-10,16H;2H,1H3
InChIKeyCKHVCONVLTVFQL-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.26
Rot. Bonds2

About methanol;3-phenyl-1H-indole-2-carbaldehyde

methanol;3-phenyl-1H-indole-2-carbaldehyde (PubChem CID 143036487) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methanol;3-phenyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Namemethanol;3-phenyl-1H-indole-2-carbaldehyde
PubChem CID143036487
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethanol;3-phenyl-1H-indole-2-carbaldehyde
SMILESCO.O=Cc1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C15H11NO.CH4O/c17-10-14-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14;1-2/h1-10,16H;2H,1H3
InChIKeyCKHVCONVLTVFQL-UHFFFAOYSA-N
XLogP3.26
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-1H-indole-2-carbaldehyde
CID 139991030
9H-carbazole;9,10-diphenylanthracene
CID 159841164
2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
CID 629515
2-formyl-1H-indole-3-carbonitrile
CID 59277563
4-phenyl-3-prop-1-en-2-yl-1H-quinolin-2-one
CID 142303338
3-(3-phenyl-1H-indol-2-yl)-1H-pyridin-2-one
CID 59508067
3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde
CID 102572070
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
phenyl-(3-phenyl-1H-indol-2-yl)methanol
CID 164732515
2-(3-methylphenyl)-3-phenyl-1H-indole
CID 123796416
5-methyl-4-methylsulfonyl-3-phenyl-1H-pyrrole-2-carbaldehyde
CID 59987008

Frequently Asked Questions

What is the IUPAC name of methanol;3-phenyl-1H-indole-2-carbaldehyde?
The IUPAC name of methanol;3-phenyl-1H-indole-2-carbaldehyde (CID 143036487) is methanol;3-phenyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for methanol;3-phenyl-1H-indole-2-carbaldehyde?
The canonical SMILES for methanol;3-phenyl-1H-indole-2-carbaldehyde is CO.O=Cc1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of methanol;3-phenyl-1H-indole-2-carbaldehyde?
The InChIKey is CKHVCONVLTVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO.CH4O/c17-10-14-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14;1-2/h1-10,16H;2H,1H3.
What are the key properties of methanol;3-phenyl-1H-indole-2-carbaldehyde?
methanol;3-phenyl-1H-indole-2-carbaldehyde has a molecular weight of 253.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-phenyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 143036487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).