(1-benzyl-3-fluoro-7-methylindol-6-yl)methanol

C17H16FNO — CID 90133255

IUPAC(1-benzyl-3-fluoro-7-methylindol-6-yl)methanol
SMILESCc1c(CO)ccc2c(F)cn(Cc3ccccc3)c12
InChIInChI=1S/C17H16FNO/c1-12-14(11-20)7-8-15-16(18)10-19(17(12)15)9-13-5-3-2-4-6-13/h2-8,10,20H,9,11H2,1H3
InChIKeyPQURBXUZKDETNZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.63
Rot. Bonds3

About (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol

(1-benzyl-3-fluoro-7-methylindol-6-yl)methanol (PubChem CID 90133255) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-3-fluoro-7-methylindol-6-yl)methanol
PubChem CID90133255
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(1-benzyl-3-fluoro-7-methylindol-6-yl)methanol
SMILESCc1c(CO)ccc2c(F)cn(Cc3ccccc3)c12
InChIInChI=1S/C17H16FNO/c1-12-14(11-20)7-8-15-16(18)10-19(17(12)15)9-13-5-3-2-4-6-13/h2-8,10,20H,9,11H2,1H3
InChIKeyPQURBXUZKDETNZ-UHFFFAOYSA-N
XLogP3.63
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol?
The IUPAC name of (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol (CID 90133255) is (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol.
What is the SMILES notation for (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol?
The canonical SMILES for (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol is Cc1c(CO)ccc2c(F)cn(Cc3ccccc3)c12.
What is the InChIKey of (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol?
The InChIKey is PQURBXUZKDETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-14(11-20)7-8-15-16(18)10-19(17(12)15)9-13-5-3-2-4-6-13/h2-8,10,20H,9,11H2,1H3.
What are the key properties of (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol?
(1-benzyl-3-fluoro-7-methylindol-6-yl)methanol has a molecular weight of 269.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-fluoro-7-methylindol-6-yl)methanol is sourced from PubChem (CID 90133255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).