3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol

C14H19NO3 — CID 83174239

IUPAC3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
SMILESCC(C)Oc1cccc2c1ccn2CC(O)CO
InChIInChI=1S/C14H19NO3/c1-10(2)18-14-5-3-4-13-12(14)6-7-15(13)8-11(17)9-16/h3-7,10-11,16-17H,8-9H2,1-2H3
InChIKeyQJENTRJPIPMGOL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.78
Rot. Bonds5

About 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol

3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol (PubChem CID 83174239) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
PubChem CID83174239
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
SMILESCC(C)Oc1cccc2c1ccn2CC(O)CO
InChIInChI=1S/C14H19NO3/c1-10(2)18-14-5-3-4-13-12(14)6-7-15(13)8-11(17)9-16/h3-7,10-11,16-17H,8-9H2,1-2H3
InChIKeyQJENTRJPIPMGOL-UHFFFAOYSA-N
XLogP1.78
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058
(Z)-2-methyl-4-(4-propan-2-yloxyindol-1-yl)but-2-enoic acid
CID 83163478
ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
CID 83162471
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
CID 83173873
1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
CID 83182716
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
CID 83165469

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol (CID 83174239) is 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol is CC(C)Oc1cccc2c1ccn2CC(O)CO.
What is the InChIKey of 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol?
The InChIKey is QJENTRJPIPMGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)18-14-5-3-4-13-12(14)6-7-15(13)8-11(17)9-16/h3-7,10-11,16-17H,8-9H2,1-2H3.
What are the key properties of 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol?
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol has a molecular weight of 249.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol is sourced from PubChem (CID 83174239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).