5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol

C11H14ClNO — CID 166849816

IUPAC5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol
SMILESCC(C)N1C=CC2C(O)=C(Cl)C=CC21
InChIInChI=1S/C11H14ClNO/c1-7(2)13-6-5-8-10(13)4-3-9(12)11(8)14/h3-8,10,14H,1-2H3
InChIKeyMEYHKEQSNTZYCE-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.79
Rot. Bonds1

About 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol

5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol (PubChem CID 166849816) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol.

Molecular Properties

Compound Name5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol
PubChem CID166849816
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol
SMILESCC(C)N1C=CC2C(O)=C(Cl)C=CC21
InChIInChI=1S/C11H14ClNO/c1-7(2)13-6-5-8-10(13)4-3-9(12)11(8)14/h3-8,10,14H,1-2H3
InChIKeyMEYHKEQSNTZYCE-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol?
The IUPAC name of 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol (CID 166849816) is 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol.
What is the SMILES notation for 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol?
The canonical SMILES for 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol is CC(C)N1C=CC2C(O)=C(Cl)C=CC21.
What is the InChIKey of 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol?
The InChIKey is MEYHKEQSNTZYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7(2)13-6-5-8-10(13)4-3-9(12)11(8)14/h3-8,10,14H,1-2H3.
What are the key properties of 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol?
5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol has a molecular weight of 211.69 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-yl-3a,7a-dihydroindol-4-ol is sourced from PubChem (CID 166849816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).