[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol

C14H18F2O4 — CID 107135528

IUPAC[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol
SMILESCOc1ccc(C(O)C2CCCOC2)cc1OC(F)F
InChIInChI=1S/C14H18F2O4/c1-18-11-5-4-9(7-12(11)20-14(15)16)13(17)10-3-2-6-19-8-10/h4-5,7,10,13-14,17H,2-3,6,8H2,1H3
InChIKeyREJYCSBCWFJOEO-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.76
Rot. Bonds5

About [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol

[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol (PubChem CID 107135528) has the molecular formula C14H18F2O4 and a molecular weight of 288.29 g/mol. Its IUPAC name is [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol.

Molecular Properties

Compound Name[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol
PubChem CID107135528
Molecular FormulaC14H18F2O4
Molecular Weight288.29 g/mol
Exact Mass288.12
IUPAC Name[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol
SMILESCOc1ccc(C(O)C2CCCOC2)cc1OC(F)F
InChIInChI=1S/C14H18F2O4/c1-18-11-5-4-9(7-12(11)20-14(15)16)13(17)10-3-2-6-19-8-10/h4-5,7,10,13-14,17H,2-3,6,8H2,1H3
InChIKeyREJYCSBCWFJOEO-UHFFFAOYSA-N
XLogP2.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-(oxan-3-ylmethyl)aniline
CID 63739495
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol
CID 107135606
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 107139267
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol
CID 25178116
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol?
The IUPAC name of [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol (CID 107135528) is [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol.
What is the SMILES notation for [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol?
The canonical SMILES for [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol is COc1ccc(C(O)C2CCCOC2)cc1OC(F)F.
What is the InChIKey of [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol?
The InChIKey is REJYCSBCWFJOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O4/c1-18-11-5-4-9(7-12(11)20-14(15)16)13(17)10-3-2-6-19-8-10/h4-5,7,10,13-14,17H,2-3,6,8H2,1H3.
What are the key properties of [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol?
[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol has a molecular weight of 288.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol is sourced from PubChem (CID 107135528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).