(3,5-dimethyl-1H-indol-2-yl)-phenylmethanol

C17H17NO — CID 54792440

IUPAC(3,5-dimethyl-1H-indol-2-yl)-phenylmethanol
SMILESCc1ccc2[nH]c(C(O)c3ccccc3)c(C)c2c1
InChIInChI=1S/C17H17NO/c1-11-8-9-15-14(10-11)12(2)16(18-15)17(19)13-6-4-3-5-7-13/h3-10,17-19H,1-2H3
InChIKeyWYSJRBNZOUNUBJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.87
Rot. Bonds2

About (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol

(3,5-dimethyl-1H-indol-2-yl)-phenylmethanol (PubChem CID 54792440) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(3,5-dimethyl-1H-indol-2-yl)-phenylmethanol
PubChem CID54792440
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(3,5-dimethyl-1H-indol-2-yl)-phenylmethanol
SMILESCc1ccc2[nH]c(C(O)c3ccccc3)c(C)c2c1
InChIInChI=1S/C17H17NO/c1-11-8-9-15-14(10-11)12(2)16(18-15)17(19)13-6-4-3-5-7-13/h3-10,17-19H,1-2H3
InChIKeyWYSJRBNZOUNUBJ-UHFFFAOYSA-N
XLogP3.87
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol?
The IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol (CID 54792440) is (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol.
What is the SMILES notation for (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol?
The canonical SMILES for (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol is Cc1ccc2[nH]c(C(O)c3ccccc3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol?
The InChIKey is WYSJRBNZOUNUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-8-9-15-14(10-11)12(2)16(18-15)17(19)13-6-4-3-5-7-13/h3-10,17-19H,1-2H3.
What are the key properties of (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol?
(3,5-dimethyl-1H-indol-2-yl)-phenylmethanol has a molecular weight of 251.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-indol-2-yl)-phenylmethanol is sourced from PubChem (CID 54792440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).