2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol

C16H16FNO — CID 65041820

IUPAC2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1NCc2ccccc21
InChIInChI=1S/C16H16FNO/c1-10-8-12(17)6-7-13(10)16(19)15-14-5-3-2-4-11(14)9-18-15/h2-8,15-16,18-19H,9H2,1H3
InChIKeyRYSRMNUFYYIFKE-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.01
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol

2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol (PubChem CID 65041820) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol
PubChem CID65041820
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1NCc2ccccc21
InChIInChI=1S/C16H16FNO/c1-10-8-12(17)6-7-13(10)16(19)15-14-5-3-2-4-11(14)9-18-15/h2-8,15-16,18-19H,9H2,1H3
InChIKeyRYSRMNUFYYIFKE-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65041819
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
CID 65042192
2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol
CID 81319309
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol
CID 104504591
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol
CID 65041588
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 107514282
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol (CID 65041820) is 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)C1NCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is RYSRMNUFYYIFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-8-12(17)6-7-13(10)16(19)15-14-5-3-2-4-11(14)9-18-15/h2-8,15-16,18-19H,9H2,1H3.
What are the key properties of 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol?
2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 257.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 65041820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).