(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol

C14H18F2O3 — CID 116754234

IUPAC(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
SMILESCCOC1(C(O)c2cccc(F)c2F)CCOCC1
InChIInChI=1S/C14H18F2O3/c1-2-19-14(6-8-18-9-7-14)13(17)10-4-3-5-11(15)12(10)16/h3-5,13,17H,2,6-9H2,1H3
InChIKeyUEILGVZUOCIKGK-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.58
Rot. Bonds4

About (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol

(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol (PubChem CID 116754234) has the molecular formula C14H18F2O3 and a molecular weight of 272.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
PubChem CID116754234
Molecular FormulaC14H18F2O3
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
SMILESCCOC1(C(O)c2cccc(F)c2F)CCOCC1
InChIInChI=1S/C14H18F2O3/c1-2-19-14(6-8-18-9-7-14)13(17)10-4-3-5-11(15)12(10)16/h3-5,13,17H,2,6-9H2,1H3
InChIKeyUEILGVZUOCIKGK-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
CID 116754309
(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 116753675
2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754232
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765066
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754252
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754164
1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448384
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 106762178
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
CID 116755399

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol (CID 116754234) is (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol is CCOC1(C(O)c2cccc(F)c2F)CCOCC1.
What is the InChIKey of (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol?
The InChIKey is UEILGVZUOCIKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3/c1-2-19-14(6-8-18-9-7-14)13(17)10-4-3-5-11(15)12(10)16/h3-5,13,17H,2,6-9H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol?
(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol has a molecular weight of 272.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol is sourced from PubChem (CID 116754234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).