1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol

C16H14ClNO — CID 81444906

IUPAC1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H14ClNO/c1-16(19,12-2-5-14(17)6-3-12)13-4-7-15-11(10-13)8-9-18-15/h2-10,18-19H,1H3
InChIKeyAFVLVPMPKJNIAO-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.08
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol

1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol (PubChem CID 81444906) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol
PubChem CID81444906
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H14ClNO/c1-16(19,12-2-5-14(17)6-3-12)13-4-7-15-11(10-13)8-9-18-15/h2-10,18-19H,1H3
InChIKeyAFVLVPMPKJNIAO-UHFFFAOYSA-N
XLogP4.08
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol (CID 81444906) is 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol is CC(O)(c1ccc(Cl)cc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol?
The InChIKey is AFVLVPMPKJNIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-16(19,12-2-5-14(17)6-3-12)13-4-7-15-11(10-13)8-9-18-15/h2-10,18-19H,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol?
1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol has a molecular weight of 271.75 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol is sourced from PubChem (CID 81444906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).