1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol

C12H13NO3 — CID 175526039

IUPAC1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol
SMILESCC(O)Cn1ccc2cc3c(cc21)OCO3
InChIInChI=1S/C12H13NO3/c1-8(14)6-13-3-2-9-4-11-12(5-10(9)13)16-7-15-11/h2-5,8,14H,6-7H2,1H3
InChIKeyKJDNFXKHMLSUCI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.75
Rot. Bonds2

About 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol

1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol (PubChem CID 175526039) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol
PubChem CID175526039
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol
SMILESCC(O)Cn1ccc2cc3c(cc21)OCO3
InChIInChI=1S/C12H13NO3/c1-8(14)6-13-3-2-9-4-11-12(5-10(9)13)16-7-15-11/h2-5,8,14H,6-7H2,1H3
InChIKeyKJDNFXKHMLSUCI-UHFFFAOYSA-N
XLogP1.75
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol?
The IUPAC name of 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol (CID 175526039) is 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol.
What is the SMILES notation for 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol?
The canonical SMILES for 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol is CC(O)Cn1ccc2cc3c(cc21)OCO3.
What is the InChIKey of 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol?
The InChIKey is KJDNFXKHMLSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)6-13-3-2-9-4-11-12(5-10(9)13)16-7-15-11/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol?
1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol has a molecular weight of 219.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol is sourced from PubChem (CID 175526039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).