[5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol

C18H16ClNO — CID 70684363

IUPAC[5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol
SMILESOCc1[nH]c2ccc(Cl)cc2c1C1(c2ccccc2)CC1
InChIInChI=1S/C18H16ClNO/c19-13-6-7-15-14(10-13)17(16(11-21)20-15)18(8-9-18)12-4-2-1-3-5-12/h1-7,10,20-21H,8-9,11H2
InChIKeyNDXYHPYTJQLBDW-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.39
Rot. Bonds3

About [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol

[5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol (PubChem CID 70684363) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol
PubChem CID70684363
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name[5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol
SMILESOCc1[nH]c2ccc(Cl)cc2c1C1(c2ccccc2)CC1
InChIInChI=1S/C18H16ClNO/c19-13-6-7-15-14(10-13)17(16(11-21)20-15)18(8-9-18)12-4-2-1-3-5-12/h1-7,10,20-21H,8-9,11H2
InChIKeyNDXYHPYTJQLBDW-UHFFFAOYSA-N
XLogP4.39
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol?
The IUPAC name of [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol (CID 70684363) is [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol.
What is the SMILES notation for [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol?
The canonical SMILES for [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol is OCc1[nH]c2ccc(Cl)cc2c1C1(c2ccccc2)CC1.
What is the InChIKey of [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol?
The InChIKey is NDXYHPYTJQLBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-13-6-7-15-14(10-13)17(16(11-21)20-15)18(8-9-18)12-4-2-1-3-5-12/h1-7,10,20-21H,8-9,11H2.
What are the key properties of [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol?
[5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol has a molecular weight of 297.79 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(1-phenylcyclopropyl)-1H-indol-2-yl]methanol is sourced from PubChem (CID 70684363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).