[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol

C17H17FO3 — CID 107698362

IUPAC[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1OCC1CCOc2ccccc21
InChIInChI=1S/C17H17FO3/c18-14-5-6-16(13(9-14)10-19)21-11-12-7-8-20-17-4-2-1-3-15(12)17/h1-6,9,12,19H,7-8,10-11H2
InChIKeyFFUDQTAQVDHSCQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.26
Rot. Bonds4

About [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol

[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol (PubChem CID 107698362) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
PubChem CID107698362
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1OCC1CCOc2ccccc21
InChIInChI=1S/C17H17FO3/c18-14-5-6-16(13(9-14)10-19)21-11-12-7-8-20-17-4-2-1-3-15(12)17/h1-6,9,12,19H,7-8,10-11H2
InChIKeyFFUDQTAQVDHSCQ-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
CID 104768732
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768778
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768072
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
3-amino-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzonitrile
CID 104768058
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
CID 79218922

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol (CID 107698362) is [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol is OCc1cc(F)ccc1OCC1CCOc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol?
The InChIKey is FFUDQTAQVDHSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c18-14-5-6-16(13(9-14)10-19)21-11-12-7-8-20-17-4-2-1-3-15(12)17/h1-6,9,12,19H,7-8,10-11H2.
What are the key properties of [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol?
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol has a molecular weight of 288.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 107698362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).