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

C16H16ClNO — CID 114845142

IUPAC[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol
SMILESCC1Cc2ccccc2N1c1ccc(Cl)cc1CO
InChIInChI=1S/C16H16ClNO/c1-11-8-12-4-2-3-5-15(12)18(11)16-7-6-14(17)9-13(16)10-19/h2-7,9,11,19H,8,10H2,1H3
InChIKeyZCSHMJMKLPNLIN-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.91
Rot. Bonds2

About [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol

[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol (PubChem CID 114845142) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol
PubChem CID114845142
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol
SMILESCC1Cc2ccccc2N1c1ccc(Cl)cc1CO
InChIInChI=1S/C16H16ClNO/c1-11-8-12-4-2-3-5-15(12)18(11)16-7-6-14(17)9-13(16)10-19/h2-7,9,11,19H,8,10H2,1H3
InChIKeyZCSHMJMKLPNLIN-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol (CID 114845142) is [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol is CC1Cc2ccccc2N1c1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol?
The InChIKey is ZCSHMJMKLPNLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-8-12-4-2-3-5-15(12)18(11)16-7-6-14(17)9-13(16)10-19/h2-7,9,11,19H,8,10H2,1H3.
What are the key properties of [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol?
[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol has a molecular weight of 273.76 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol is sourced from PubChem (CID 114845142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).