4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol

C16H15FO4 — CID 59790868

IUPAC4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol
SMILESOc1ccc(OCOc2ccc3c(c2)CCC(F)O3)cc1
InChIInChI=1S/C16H15FO4/c17-16-8-1-11-9-14(6-7-15(11)21-16)20-10-19-13-4-2-12(18)3-5-13/h2-7,9,16,18H,1,8,10H2
InChIKeyHPYARDTWNYXROY-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.43
Rot. Bonds4

About 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol

4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol (PubChem CID 59790868) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol.

Molecular Properties

Compound Name4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol
PubChem CID59790868
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol
SMILESOc1ccc(OCOc2ccc3c(c2)CCC(F)O3)cc1
InChIInChI=1S/C16H15FO4/c17-16-8-1-11-9-14(6-7-15(11)21-16)20-10-19-13-4-2-12(18)3-5-13/h2-7,9,16,18H,1,8,10H2
InChIKeyHPYARDTWNYXROY-UHFFFAOYSA-N
XLogP3.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol
CID 142775367
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684733
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
(1S)-5-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091258
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate
CID 21283842
6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 163392785

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol?
The IUPAC name of 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol (CID 59790868) is 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol.
What is the SMILES notation for 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol?
The canonical SMILES for 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol is Oc1ccc(OCOc2ccc3c(c2)CCC(F)O3)cc1.
What is the InChIKey of 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol?
The InChIKey is HPYARDTWNYXROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c17-16-8-1-11-9-14(6-7-15(11)21-16)20-10-19-13-4-2-12(18)3-5-13/h2-7,9,16,18H,1,8,10H2.
What are the key properties of 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol?
4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol has a molecular weight of 290.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3,4-dihydro-2H-chromen-6-yl)oxymethoxy]phenol is sourced from PubChem (CID 59790868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).