1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol

C19H20ClNOS — CID 70694765

IUPAC1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol
SMILESCCc1cccc2ccn(CC(O)CSc3ccccc3Cl)c12
InChIInChI=1S/C19H20ClNOS/c1-2-14-6-5-7-15-10-11-21(19(14)15)12-16(22)13-23-18-9-4-3-8-17(18)20/h3-11,16,22H,2,12-13H2,1H3
InChIKeyUUHMAMHYWPIJTN-UHFFFAOYSA-N
MW345.90 g/mol
LogP5.01
Rot. Bonds6

About 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol

1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol (PubChem CID 70694765) has the molecular formula C19H20ClNOS and a molecular weight of 345.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol
PubChem CID70694765
Molecular FormulaC19H20ClNOS
Molecular Weight345.90 g/mol
Exact Mass345.10
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol
SMILESCCc1cccc2ccn(CC(O)CSc3ccccc3Cl)c12
InChIInChI=1S/C19H20ClNOS/c1-2-14-6-5-7-15-10-11-21(19(14)15)12-16(22)13-23-18-9-4-3-8-17(18)20/h3-11,16,22H,2,12-13H2,1H3
InChIKeyUUHMAMHYWPIJTN-UHFFFAOYSA-N
XLogP5.01
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.90
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol (CID 70694765) is 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol is CCc1cccc2ccn(CC(O)CSc3ccccc3Cl)c12.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol?
The InChIKey is UUHMAMHYWPIJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNOS/c1-2-14-6-5-7-15-10-11-21(19(14)15)12-16(22)13-23-18-9-4-3-8-17(18)20/h3-11,16,22H,2,12-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol?
1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol has a molecular weight of 345.90 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(7-ethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 70694765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).