(1,3-dimethylindol-4-yl)-phenylmethanol

C17H17NO — CID 15852029

IUPAC(1,3-dimethylindol-4-yl)-phenylmethanol
SMILESCc1cn(C)c2cccc(C(O)c3ccccc3)c12
InChIInChI=1S/C17H17NO/c1-12-11-18(2)15-10-6-9-14(16(12)15)17(19)13-7-4-3-5-8-13/h3-11,17,19H,1-2H3
InChIKeyXMKZROKEFSOKQR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.57
Rot. Bonds2

About (1,3-dimethylindol-4-yl)-phenylmethanol

(1,3-dimethylindol-4-yl)-phenylmethanol (PubChem CID 15852029) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1,3-dimethylindol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(1,3-dimethylindol-4-yl)-phenylmethanol
PubChem CID15852029
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1,3-dimethylindol-4-yl)-phenylmethanol
SMILESCc1cn(C)c2cccc(C(O)c3ccccc3)c12
InChIInChI=1S/C17H17NO/c1-12-11-18(2)15-10-6-9-14(16(12)15)17(19)13-7-4-3-5-8-13/h3-11,17,19H,1-2H3
InChIKeyXMKZROKEFSOKQR-UHFFFAOYSA-N
XLogP3.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1,3-dimethylindol-4-yl)-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indole-3-Carbinol
CID 3712
N-methoxyindole-3-carbinol
CID 398553
Flutroline
CID 51174
(1-methyl-1H-indol-4-yl)methanol
CID 17608739
Indole, 14
CID 44473055
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
3-(1-phenyl-1H-indol-3-yl)-1-propanol
CID 2055004
1H-indol-4-ylmethanol
CID 2773457

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylindol-4-yl)-phenylmethanol?
The IUPAC name of (1,3-dimethylindol-4-yl)-phenylmethanol (CID 15852029) is (1,3-dimethylindol-4-yl)-phenylmethanol.
What is the SMILES notation for (1,3-dimethylindol-4-yl)-phenylmethanol?
The canonical SMILES for (1,3-dimethylindol-4-yl)-phenylmethanol is Cc1cn(C)c2cccc(C(O)c3ccccc3)c12.
What is the InChIKey of (1,3-dimethylindol-4-yl)-phenylmethanol?
The InChIKey is XMKZROKEFSOKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-11-18(2)15-10-6-9-14(16(12)15)17(19)13-7-4-3-5-8-13/h3-11,17,19H,1-2H3.
What are the key properties of (1,3-dimethylindol-4-yl)-phenylmethanol?
(1,3-dimethylindol-4-yl)-phenylmethanol has a molecular weight of 251.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylindol-4-yl)-phenylmethanol is sourced from PubChem (CID 15852029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).