(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol

C16H17FO4 — CID 63895832

IUPAC(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C16H17FO4/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-5-4-6-11(17)7-10/h4-9,16,18H,1-3H3
InChIKeyCNNYOIUQIWCPTJ-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.93
Rot. Bonds5

About (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol

(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol (PubChem CID 63895832) has the molecular formula C16H17FO4 and a molecular weight of 292.31 g/mol. Its IUPAC name is (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
PubChem CID63895832
Molecular FormulaC16H17FO4
Molecular Weight292.31 g/mol
Exact Mass292.11
IUPAC Name(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C16H17FO4/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-5-4-6-11(17)7-10/h4-9,16,18H,1-3H3
InChIKeyCNNYOIUQIWCPTJ-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

(2,5-dimethoxyphenyl)-(3-fluorophenyl)methanol
CID 61099370
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567
(3-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101111
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63440568
(2-ethoxy-5-methylphenyl)-(3-fluorophenyl)methanol
CID 62301823
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895830
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
CID 105057022
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol (CID 63895832) is (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)c2cccc(F)c2)cc1OC.
What is the InChIKey of (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
The InChIKey is CNNYOIUQIWCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO4/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-5-4-6-11(17)7-10/h4-9,16,18H,1-3H3.
What are the key properties of (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol?
(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)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 (3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 63895832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).