[1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol

C17H15F2NO — CID 90133681

IUPAC[1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol
SMILESCc1c(CO)ccc2ccn(Cc3cc(F)cc(F)c3)c12
InChIInChI=1S/C17H15F2NO/c1-11-14(10-21)3-2-13-4-5-20(17(11)13)9-12-6-15(18)8-16(19)7-12/h2-8,21H,9-10H2,1H3
InChIKeyVLGNWXHJBRMTHO-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.77
Rot. Bonds3

About [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol

[1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol (PubChem CID 90133681) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol.

Molecular Properties

Compound Name[1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol
PubChem CID90133681
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name[1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol
SMILESCc1c(CO)ccc2ccn(Cc3cc(F)cc(F)c3)c12
InChIInChI=1S/C17H15F2NO/c1-11-14(10-21)3-2-13-4-5-20(17(11)13)9-12-6-15(18)8-16(19)7-12/h2-8,21H,9-10H2,1H3
InChIKeyVLGNWXHJBRMTHO-UHFFFAOYSA-N
XLogP3.77
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol?
The IUPAC name of [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol (CID 90133681) is [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol.
What is the SMILES notation for [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol?
The canonical SMILES for [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol is Cc1c(CO)ccc2ccn(Cc3cc(F)cc(F)c3)c12.
What is the InChIKey of [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol?
The InChIKey is VLGNWXHJBRMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-11-14(10-21)3-2-13-4-5-20(17(11)13)9-12-6-15(18)8-16(19)7-12/h2-8,21H,9-10H2,1H3.
What are the key properties of [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol?
[1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol has a molecular weight of 287.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-difluorophenyl)methyl]-7-methylindol-6-yl]methanol is sourced from PubChem (CID 90133681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).