2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol

C16H17NO — CID 3825939

IUPAC2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2Cc3ccccc3N2)cc1
InChIInChI=1S/C16H17NO/c1-11-6-8-12(9-7-11)16(18)15-10-13-4-2-3-5-14(13)17-15/h2-9,15-18H,10H2,1H3
InChIKeyHHLSRWOYMSWJFP-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.07
Rot. Bonds2

About 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol

2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol (PubChem CID 3825939) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol
PubChem CID3825939
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2Cc3ccccc3N2)cc1
InChIInChI=1S/C16H17NO/c1-11-6-8-12(9-7-11)16(18)15-10-13-4-2-3-5-14(13)17-15/h2-9,15-18H,10H2,1H3
InChIKeyHHLSRWOYMSWJFP-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol (CID 3825939) is 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol is Cc1ccc(C(O)C2Cc3ccccc3N2)cc1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol?
The InChIKey is HHLSRWOYMSWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-8-12(9-7-11)16(18)15-10-13-4-2-3-5-14(13)17-15/h2-9,15-18H,10H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol?
2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol has a molecular weight of 239.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol is sourced from PubChem (CID 3825939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).