[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol

C16H14FNO — CID 161141877

IUPAC[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol
SMILESCc1ccc2c(c1)CN=C2c1ccc(CO)cc1F
InChIInChI=1S/C16H14FNO/c1-10-2-4-13-12(6-10)8-18-16(13)14-5-3-11(9-19)7-15(14)17/h2-7,19H,8-9H2,1H3
InChIKeyPLLJDQPJXVEURL-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.98
Rot. Bonds2

About [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol

[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol (PubChem CID 161141877) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol
PubChem CID161141877
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol
SMILESCc1ccc2c(c1)CN=C2c1ccc(CO)cc1F
InChIInChI=1S/C16H14FNO/c1-10-2-4-13-12(6-10)8-18-16(13)14-5-3-11(9-19)7-15(14)17/h2-7,19H,8-9H2,1H3
InChIKeyPLLJDQPJXVEURL-UHFFFAOYSA-N
XLogP2.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol (CID 161141877) is [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol is Cc1ccc2c(c1)CN=C2c1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol?
The InChIKey is PLLJDQPJXVEURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10-2-4-13-12(6-10)8-18-16(13)14-5-3-11(9-19)7-15(14)17/h2-7,19H,8-9H2,1H3.
What are the key properties of [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol?
[3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol has a molecular weight of 255.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(5-methyl-3H-isoindol-1-yl)phenyl]methanol is sourced from PubChem (CID 161141877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).