methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol

C23H33NO3 — CID 145450562

IUPACmethanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol
SMILESCC(C)(C)O.CO.Cc1ccc(-c2c(CC=O)c(C)cc3c2CCN3)cc1
InChIInChI=1S/C18H19NO.C4H10O.CH4O/c1-12-3-5-14(6-4-12)18-15(8-10-20)13(2)11-17-16(18)7-9-19-17;1-4(2,3)5;1-2/h3-6,10-11,19H,7-9H2,1-2H3;5H,1-3H3;2H,1H3
InChIKeyHXPKNTKMKZVRCO-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.07
Rot. Bonds3

About methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol

methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol (PubChem CID 145450562) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol.

Molecular Properties

Compound Namemethanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol
PubChem CID145450562
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Namemethanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol
SMILESCC(C)(C)O.CO.Cc1ccc(-c2c(CC=O)c(C)cc3c2CCN3)cc1
InChIInChI=1S/C18H19NO.C4H10O.CH4O/c1-12-3-5-14(6-4-12)18-15(8-10-20)13(2)11-17-16(18)7-9-19-17;1-4(2,3)5;1-2/h3-6,10-11,19H,7-9H2,1-2H3;5H,1-3H3;2H,1H3
InChIKeyHXPKNTKMKZVRCO-UHFFFAOYSA-N
XLogP4.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol?
The IUPAC name of methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol (CID 145450562) is methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol.
What is the SMILES notation for methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol?
The canonical SMILES for methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol is CC(C)(C)O.CO.Cc1ccc(-c2c(CC=O)c(C)cc3c2CCN3)cc1.
What is the InChIKey of methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol?
The InChIKey is HXPKNTKMKZVRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.C4H10O.CH4O/c1-12-3-5-14(6-4-12)18-15(8-10-20)13(2)11-17-16(18)7-9-19-17;1-4(2,3)5;1-2/h3-6,10-11,19H,7-9H2,1-2H3;5H,1-3H3;2H,1H3.
What are the key properties of methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol?
methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol has a molecular weight of 371.52 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetaldehyde;2-methylpropan-2-ol is sourced from PubChem (CID 145450562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).