4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol

C16H16FNO — CID 103504800

IUPAC4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H16FNO/c1-11(12-3-6-15(19)7-4-12)18-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyNADRZVLNXNFKIJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.65
Rot. Bonds2

About 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol

4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol (PubChem CID 103504800) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol
PubChem CID103504800
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H16FNO/c1-11(12-3-6-15(19)7-4-12)18-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyNADRZVLNXNFKIJ-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
1-propan-2-yl-2,3-dihydroindol-6-ol
CID 84732134
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate
CID 103912426
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394
1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
CID 103494129
(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine
CID 103503159
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol
CID 82980835

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol?
The IUPAC name of 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol (CID 103504800) is 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol is CC(c1ccc(O)cc1)N1CCc2ccc(F)cc21.
What is the InChIKey of 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol?
The InChIKey is NADRZVLNXNFKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11(12-3-6-15(19)7-4-12)18-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol?
4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol has a molecular weight of 257.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol is sourced from PubChem (CID 103504800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).