(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol

C17H17NO — CID 115351861

IUPAC(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol
SMILESCc1cc(C)cc(C(O)c2cccc3[nH]ccc23)c1
InChIInChI=1S/C17H17NO/c1-11-8-12(2)10-13(9-11)17(19)15-4-3-5-16-14(15)6-7-18-16/h3-10,17-19H,1-2H3
InChIKeyWXXVATISXTUPQV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.87
Rot. Bonds2

About (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol

(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol (PubChem CID 115351861) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol
PubChem CID115351861
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol
SMILESCc1cc(C)cc(C(O)c2cccc3[nH]ccc23)c1
InChIInChI=1S/C17H17NO/c1-11-8-12(2)10-13(9-11)17(19)15-4-3-5-16-14(15)6-7-18-16/h3-10,17-19H,1-2H3
InChIKeyWXXVATISXTUPQV-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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Related Compounds

1H-indol-4-yl-(5-methylthiophen-2-yl)methanol
CID 115351831
1H-indol-4-yl-(3-methylfuran-2-yl)methanol
CID 113489056
(2-fluorophenyl)-(1H-indol-4-yl)methanol
CID 113292217
(2,6-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351810
(2,3-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351822
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(4-chloro-2-fluorophenyl)-(1H-indol-4-yl)methanol
CID 114852920
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol
CID 115351825
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol?
The IUPAC name of (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol (CID 115351861) is (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol?
The canonical SMILES for (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol is Cc1cc(C)cc(C(O)c2cccc3[nH]ccc23)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol?
The InChIKey is WXXVATISXTUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-8-12(2)10-13(9-11)17(19)15-4-3-5-16-14(15)6-7-18-16/h3-10,17-19H,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(1H-indol-4-yl)methanol?
(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol 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-dimethylphenyl)-(1H-indol-4-yl)methanol is sourced from PubChem (CID 115351861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).