(2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol

C12H10F2O3 — CID 61099275

IUPAC(2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol
SMILESCOc1cc(F)c(C(O)c2ccoc2)c(F)c1
InChIInChI=1S/C12H10F2O3/c1-16-8-4-9(13)11(10(14)5-8)12(15)7-2-3-17-6-7/h2-6,12,15H,1H3
InChIKeyHTPTZUWDNLJMSJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.65
Rot. Bonds3

About (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol

(2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol (PubChem CID 61099275) has the molecular formula C12H10F2O3 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol
PubChem CID61099275
Molecular FormulaC12H10F2O3
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol
SMILESCOc1cc(F)c(C(O)c2ccoc2)c(F)c1
InChIInChI=1S/C12H10F2O3/c1-16-8-4-9(13)11(10(14)5-8)12(15)7-2-3-17-6-7/h2-6,12,15H,1H3
InChIKeyHTPTZUWDNLJMSJ-UHFFFAOYSA-N
XLogP2.65
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-(furan-3-yl)methanol
CID 63948954
(S)-(4-fluoro-3-methylphenyl)-(furan-3-yl)methanol
CID 95252370
furan-3-yl-(3,4,5-trimethoxyphenyl)methanol
CID 63948143
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61101677
(S)-(3,5-difluorophenyl)-(furan-3-yl)methanol
CID 95363998
(2-bromo-6-fluorophenyl)-(furan-3-yl)methanol
CID 114885706
(5-chloro-2-methoxyphenyl)-(furan-3-yl)methanol
CID 63894957
(2,6-difluorophenyl)-(3-methoxyphenyl)methanol
CID 63893352
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
cyclopropyl-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099955
(2,6-difluoro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61099270

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol (CID 61099275) is (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol is COc1cc(F)c(C(O)c2ccoc2)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol?
The InChIKey is HTPTZUWDNLJMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O3/c1-16-8-4-9(13)11(10(14)5-8)12(15)7-2-3-17-6-7/h2-6,12,15H,1H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol?
(2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol has a molecular weight of 240.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(furan-3-yl)methanol is sourced from PubChem (CID 61099275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).