3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride

C12H18ClNO2 — CID 130247631

IUPAC3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride
SMILESCOc1ccc2c(c1)CCN2CCCO.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-11-3-4-12-10(9-11)5-7-13(12)6-2-8-14;/h3-4,9,14H,2,5-8H2,1H3;1H
InChIKeyJBKPRSFSCYETEP-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.86
Rot. Bonds4

About 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride

3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride (PubChem CID 130247631) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride
PubChem CID130247631
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride
SMILESCOc1ccc2c(c1)CCN2CCCO.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-11-3-4-12-10(9-11)5-7-13(12)6-2-8-14;/h3-4,9,14H,2,5-8H2,1H3;1H
InChIKeyJBKPRSFSCYETEP-UHFFFAOYSA-N
XLogP1.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride?
The IUPAC name of 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride (CID 130247631) is 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride is COc1ccc2c(c1)CCN2CCCO.Cl.
What is the InChIKey of 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride?
The InChIKey is JBKPRSFSCYETEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-15-11-3-4-12-10(9-11)5-7-13(12)6-2-8-14;/h3-4,9,14H,2,5-8H2,1H3;1H.
What are the key properties of 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride?
3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 130247631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).