[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol

C15H14ClNO — CID 28945727

IUPAC[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol
SMILESOCc1c(Cl)cccc1N1CCc2ccccc21
InChIInChI=1S/C15H14ClNO/c16-13-5-3-7-15(12(13)10-18)17-9-8-11-4-1-2-6-14(11)17/h1-7,18H,8-10H2
InChIKeyTUNGDOLWEUJFSV-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.53
Rot. Bonds2

About [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol

[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol (PubChem CID 28945727) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol
PubChem CID28945727
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol
SMILESOCc1c(Cl)cccc1N1CCc2ccccc21
InChIInChI=1S/C15H14ClNO/c16-13-5-3-7-15(12(13)10-18)17-9-8-11-4-1-2-6-14(11)17/h1-7,18H,8-10H2
InChIKeyTUNGDOLWEUJFSV-UHFFFAOYSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol?
The IUPAC name of [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol (CID 28945727) is [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol is OCc1c(Cl)cccc1N1CCc2ccccc21.
What is the InChIKey of [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol?
The InChIKey is TUNGDOLWEUJFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-13-5-3-7-15(12(13)10-18)17-9-8-11-4-1-2-6-14(11)17/h1-7,18H,8-10H2.
What are the key properties of [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol?
[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol has a molecular weight of 259.74 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol is sourced from PubChem (CID 28945727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).