(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol

C13H13FO4 — CID 62867118

IUPAC(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
SMILESCOc1cc(F)c(C(O)c2ccco2)cc1OC
InChIInChI=1S/C13H13FO4/c1-16-11-6-8(9(14)7-12(11)17-2)13(15)10-4-3-5-18-10/h3-7,13,15H,1-2H3
InChIKeyMWFQXPVTIDCFSB-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.52
Rot. Bonds4

About (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol

(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol (PubChem CID 62867118) has the molecular formula C13H13FO4 and a molecular weight of 252.24 g/mol. Its IUPAC name is (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
PubChem CID62867118
Molecular FormulaC13H13FO4
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
SMILESCOc1cc(F)c(C(O)c2ccco2)cc1OC
InChIInChI=1S/C13H13FO4/c1-16-11-6-8(9(14)7-12(11)17-2)13(15)10-4-3-5-18-10/h3-7,13,15H,1-2H3
InChIKeyMWFQXPVTIDCFSB-UHFFFAOYSA-N
XLogP2.52
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633
2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan
CID 61096008
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 63947956
1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol
CID 102517509
furan-2-yl-(2-phenylphenyl)methanol
CID 172878097
2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 61083604
(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 81316466
(R)-(4-fluoro-3-methylphenyl)-(furan-2-yl)methanol
CID 94602014
furan-2-yl-[2-(trifluoromethoxy)phenyl]methanol
CID 62791171

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol?
The IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol (CID 62867118) is (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol.
What is the SMILES notation for (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol?
The canonical SMILES for (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol is COc1cc(F)c(C(O)c2ccco2)cc1OC.
What is the InChIKey of (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol?
The InChIKey is MWFQXPVTIDCFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO4/c1-16-11-6-8(9(14)7-12(11)17-2)13(15)10-4-3-5-18-10/h3-7,13,15H,1-2H3.
What are the key properties of (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol?
(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol has a molecular weight of 252.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol is sourced from PubChem (CID 62867118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).