(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol

C16H17FO4 — CID 82791266

IUPAC(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(OC)c2OC)c1F
InChIInChI=1S/C16H17FO4/c1-19-12-8-4-6-10(14(12)17)15(18)11-7-5-9-13(20-2)16(11)21-3/h4-9,15,18H,1-3H3
InChIKeySLLCSVRYKBHDOA-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.93
Rot. Bonds5

About (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol

(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82791266) has the molecular formula C16H17FO4 and a molecular weight of 292.31 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82791266
Molecular FormulaC16H17FO4
Molecular Weight292.31 g/mol
Exact Mass292.11
IUPAC Name(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cccc(OC)c2OC)c1F
InChIInChI=1S/C16H17FO4/c1-19-12-8-4-6-10(14(12)17)15(18)11-7-5-9-13(20-2)16(11)21-3/h4-9,15,18H,1-3H3
InChIKeySLLCSVRYKBHDOA-UHFFFAOYSA-N
XLogP2.93
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol (CID 82791266) is (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2cccc(OC)c2OC)c1F.
What is the InChIKey of (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is SLLCSVRYKBHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO4/c1-19-12-8-4-6-10(14(12)17)15(18)11-7-5-9-13(20-2)16(11)21-3/h4-9,15,18H,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol?
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 292.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82791266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).