[1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol

C17H16FNO — CID 90133315

IUPAC[1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol
SMILESCc1c(CO)ccc2ccn(Cc3ccc(F)cc3)c12
InChIInChI=1S/C17H16FNO/c1-12-15(11-20)5-4-14-8-9-19(17(12)14)10-13-2-6-16(18)7-3-13/h2-9,20H,10-11H2,1H3
InChIKeyCZGBJOQCSQTELM-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.63
Rot. Bonds3

About [1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol

[1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol (PubChem CID 90133315) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol
PubChem CID90133315
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name[1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol
SMILESCc1c(CO)ccc2ccn(Cc3ccc(F)cc3)c12
InChIInChI=1S/C17H16FNO/c1-12-15(11-20)5-4-14-8-9-19(17(12)14)10-13-2-6-16(18)7-3-13/h2-9,20H,10-11H2,1H3
InChIKeyCZGBJOQCSQTELM-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-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol (CID 90133315) is [1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol is Cc1c(CO)ccc2ccn(Cc3ccc(F)cc3)c12.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol?
The InChIKey is CZGBJOQCSQTELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-15(11-20)5-4-14-8-9-19(17(12)14)10-13-2-6-16(18)7-3-13/h2-9,20H,10-11H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol?
[1-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-7-methylindol-6-yl]methanol is sourced from PubChem (CID 90133315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).