4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene

C16H15FO2 — CID 104771987

IUPAC4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESFc1ccc(OCC2CCOc3ccccc32)cc1
InChIInChI=1S/C16H15FO2/c17-13-5-7-14(8-6-13)19-11-12-9-10-18-16-4-2-1-3-15(12)16/h1-8,12H,9-11H2
InChIKeyOHZYYWHZTKFNRS-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.77
Rot. Bonds3

About 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene

4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene (PubChem CID 104771987) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
PubChem CID104771987
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESFc1ccc(OCC2CCOc3ccccc32)cc1
InChIInChI=1S/C16H15FO2/c17-13-5-7-14(8-6-13)19-11-12-9-10-18-16-4-2-1-3-15(12)16/h1-8,12H,9-11H2
InChIKeyOHZYYWHZTKFNRS-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768773
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
CID 107698362
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768037
[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol
CID 104768743
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride
CID 134230439
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
4-[[3-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768779

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene (CID 104771987) is 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene is Fc1ccc(OCC2CCOc3ccccc32)cc1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is OHZYYWHZTKFNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c17-13-5-7-14(8-6-13)19-11-12-9-10-18-16-4-2-1-3-15(12)16/h1-8,12H,9-11H2.
What are the key properties of 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene?
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 258.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 104771987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).