3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol

C15H13ClFNO — CID 103504803

IUPAC3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
SMILESOc1cccc(Cl)c1CN1CCc2ccc(F)cc21
InChIInChI=1S/C15H13ClFNO/c16-13-2-1-3-15(19)12(13)9-18-7-6-10-4-5-11(17)8-14(10)18/h1-5,8,19H,6-7,9H2
InChIKeyGJVXVBULRQOESK-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.75
Rot. Bonds2

About 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol

3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol (PubChem CID 103504803) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
PubChem CID103504803
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
SMILESOc1cccc(Cl)c1CN1CCc2ccc(F)cc21
InChIInChI=1S/C15H13ClFNO/c16-13-2-1-3-15(19)12(13)9-18-7-6-10-4-5-11(17)8-14(10)18/h1-5,8,19H,6-7,9H2
InChIKeyGJVXVBULRQOESK-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 29080631
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 106269290
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 102856206
N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
CID 103503085
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
1-(3-chlorophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103502584
2-(2,6-dichlorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494477
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-2-ol
CID 103873387

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol?
The IUPAC name of 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol (CID 103504803) is 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol.
What is the SMILES notation for 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol?
The canonical SMILES for 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol is Oc1cccc(Cl)c1CN1CCc2ccc(F)cc21.
What is the InChIKey of 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol?
The InChIKey is GJVXVBULRQOESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-13-2-1-3-15(19)12(13)9-18-7-6-10-4-5-11(17)8-14(10)18/h1-5,8,19H,6-7,9H2.
What are the key properties of 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol?
3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol has a molecular weight of 277.73 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol is sourced from PubChem (CID 103504803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).