[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol

C17H19FO3 — CID 105372050

IUPAC[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)ccc1OCc1cc(F)ccc1C
InChIInChI=1S/C17H19FO3/c1-3-20-17-8-13(10-19)5-7-16(17)21-11-14-9-15(18)6-4-12(14)2/h4-9,19H,3,10-11H2,1-2H3
InChIKeyYETRVFSEHFLEAU-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.60
Rot. Bonds6

About [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol

[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol (PubChem CID 105372050) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
PubChem CID105372050
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)ccc1OCc1cc(F)ccc1C
InChIInChI=1S/C17H19FO3/c1-3-20-17-8-13(10-19)5-7-16(17)21-11-14-9-15(18)6-4-12(14)2/h4-9,19H,3,10-11H2,1-2H3
InChIKeyYETRVFSEHFLEAU-UHFFFAOYSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene
CID 105372168
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046919
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
[4-[(5-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105372055
[3-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690934
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 79698175
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]-5-methoxyphenyl]methanol
CID 105372054
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol (CID 105372050) is [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol is CCOc1cc(CO)ccc1OCc1cc(F)ccc1C.
What is the InChIKey of [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol?
The InChIKey is YETRVFSEHFLEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-3-20-17-8-13(10-19)5-7-16(17)21-11-14-9-15(18)6-4-12(14)2/h4-9,19H,3,10-11H2,1-2H3.
What are the key properties of [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol?
[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol has a molecular weight of 290.33 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 105372050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).