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

C16H16ClNO — CID 106818099

IUPAC(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
SMILESCc1ccc(C(O)C2Cc3ccccc3N2)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-10-6-7-12(8-13(10)17)16(19)15-9-11-4-2-3-5-14(11)18-15/h2-8,15-16,18-19H,9H2,1H3
InChIKeySTXIMYONIWSNRE-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.72
Rot. Bonds2

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

(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol (PubChem CID 106818099) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
PubChem CID106818099
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
SMILESCc1ccc(C(O)C2Cc3ccccc3N2)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-10-6-7-12(8-13(10)17)16(19)15-9-11-4-2-3-5-14(11)18-15/h2-8,15-16,18-19H,9H2,1H3
InChIKeySTXIMYONIWSNRE-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol (CID 106818099) is (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol is Cc1ccc(C(O)C2Cc3ccccc3N2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol?
The InChIKey is STXIMYONIWSNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-6-7-12(8-13(10)17)16(19)15-9-11-4-2-3-5-14(11)18-15/h2-8,15-16,18-19H,9H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol?
(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol has a molecular weight of 273.76 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol is sourced from PubChem (CID 106818099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).