3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol

C19H23NO3 — CID 82074098

IUPAC3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCc3ccccc32)c(OC)c1
InChIInChI=1S/C19H23NO3/c1-22-15-7-8-16(19(13-15)23-2)18(21)10-12-20-11-9-14-5-3-4-6-17(14)20/h3-8,13,18,21H,9-12H2,1-2H3
InChIKeyTZPKNYPLOGVXCR-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.19
Rot. Bonds6

About 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol

3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol (PubChem CID 82074098) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol
PubChem CID82074098
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCc3ccccc32)c(OC)c1
InChIInChI=1S/C19H23NO3/c1-22-15-7-8-16(19(13-15)23-2)18(21)10-12-20-11-9-14-5-3-4-6-17(14)20/h3-8,13,18,21H,9-12H2,1-2H3
InChIKeyTZPKNYPLOGVXCR-UHFFFAOYSA-N
XLogP3.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 3350158
1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074086
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959492
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 23362116
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
3-cyclopentyl-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 61088448
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2,4-dimethoxybenzamide
CID 55816792

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol (CID 82074098) is 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol is COc1ccc(C(O)CCN2CCc3ccccc32)c(OC)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is TZPKNYPLOGVXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-22-15-7-8-16(19(13-15)23-2)18(21)10-12-20-11-9-14-5-3-4-6-17(14)20/h3-8,13,18,21H,9-12H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol?
3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82074098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).