4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol

C16H16ClNO — CID 82974404

IUPAC4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol
SMILESCC(c1cc(Cl)ccc1O)N1CCc2ccccc21
InChIInChI=1S/C16H16ClNO/c1-11(14-10-13(17)6-7-16(14)19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyHNBAUQQXNXYBGI-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol

4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol (PubChem CID 82974404) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol
PubChem CID82974404
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol
SMILESCC(c1cc(Cl)ccc1O)N1CCc2ccccc21
InChIInChI=1S/C16H16ClNO/c1-11(14-10-13(17)6-7-16(14)19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyHNBAUQQXNXYBGI-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 82975216
2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol
CID 82980720
2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
CID 82974186
4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol
CID 82976879
4-chloro-2-(1-piperidin-1-ylethyl)phenol
CID 82977404
(2R)-N-(4-chloro-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432138
4-chloro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82975278
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide
CID 37193661
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 4875488
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-4-chlorophenol
CID 82980108
4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol
CID 82974788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol (CID 82974404) is 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol is CC(c1cc(Cl)ccc1O)N1CCc2ccccc21.
What is the InChIKey of 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol?
The InChIKey is HNBAUQQXNXYBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11(14-10-13(17)6-7-16(14)19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol?
4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol has a molecular weight of 273.76 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol is sourced from PubChem (CID 82974404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).