2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde

C14H17NO2 — CID 117194619

IUPAC2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
SMILESCOc1cccc2c1cc(CC=O)n2C(C)C
InChIInChI=1S/C14H17NO2/c1-10(2)15-11(7-8-16)9-12-13(15)5-4-6-14(12)17-3/h4-6,8-10H,7H2,1-3H3
InChIKeyUUVVARANOXEXFI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde

2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde (PubChem CID 117194619) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
PubChem CID117194619
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
SMILESCOc1cccc2c1cc(CC=O)n2C(C)C
InChIInChI=1S/C14H17NO2/c1-10(2)15-11(7-8-16)9-12-13(15)5-4-6-14(12)17-3/h4-6,8-10H,7H2,1-3H3
InChIKeyUUVVARANOXEXFI-UHFFFAOYSA-N
XLogP2.97
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
4-methoxy-1-propan-2-ylindole-2-carbaldehyde
CID 83917293
2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 115006203
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
CID 117120626
propanal;1,2,3-trimethoxybenzene
CID 174975216
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde?
The IUPAC name of 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde (CID 117194619) is 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde is COc1cccc2c1cc(CC=O)n2C(C)C.
What is the InChIKey of 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde?
The InChIKey is UUVVARANOXEXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)15-11(7-8-16)9-12-13(15)5-4-6-14(12)17-3/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde?
2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde has a molecular weight of 231.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde is sourced from PubChem (CID 117194619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).