(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol

C16H17FO2 — CID 81477516

IUPAC(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCCOc1ccc(C(O)c2cccc(C)c2F)cc1
InChIInChI=1S/C16H17FO2/c1-3-19-13-9-7-12(8-10-13)16(18)14-6-4-5-11(2)15(14)17/h4-10,16,18H,3H2,1-2H3
InChIKeyIRZKOBWGRVAXKQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.61
Rot. Bonds4

About (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol

(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol (PubChem CID 81477516) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
PubChem CID81477516
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCCOc1ccc(C(O)c2cccc(C)c2F)cc1
InChIInChI=1S/C16H17FO2/c1-3-19-13-9-7-12(8-10-13)16(18)14-6-4-5-11(2)15(14)17/h4-10,16,18H,3H2,1-2H3
InChIKeyIRZKOBWGRVAXKQ-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274
(4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042
(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
(4-ethoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61088282
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706
(4-ethoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 115605144
(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477237
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The IUPAC name of (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol (CID 81477516) is (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol is CCOc1ccc(C(O)c2cccc(C)c2F)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The InChIKey is IRZKOBWGRVAXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-3-19-13-9-7-12(8-10-13)16(18)14-6-4-5-11(2)15(14)17/h4-10,16,18H,3H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol has a molecular weight of 260.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 81477516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).