3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol

C12H16F2O2 — CID 116841028

IUPAC3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol
SMILESCCc1ccc(OC)c(C(F)(F)CCO)c1
InChIInChI=1S/C12H16F2O2/c1-3-9-4-5-11(16-2)10(8-9)12(13,14)6-7-15/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyXLKMEQRBKBRXAB-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.73
Rot. Bonds5

About 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol

3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol (PubChem CID 116841028) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol
PubChem CID116841028
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol
SMILESCCc1ccc(OC)c(C(F)(F)CCO)c1
InChIInChI=1S/C12H16F2O2/c1-3-9-4-5-11(16-2)10(8-9)12(13,14)6-7-15/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyXLKMEQRBKBRXAB-UHFFFAOYSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol
CID 116861564
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
N-ethyl-2-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-amine
CID 112518134
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956
1,5-bis[4-methoxy-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151393915

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol?
The IUPAC name of 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol (CID 116841028) is 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol.
What is the SMILES notation for 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol?
The canonical SMILES for 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol is CCc1ccc(OC)c(C(F)(F)CCO)c1.
What is the InChIKey of 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol?
The InChIKey is XLKMEQRBKBRXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-3-9-4-5-11(16-2)10(8-9)12(13,14)6-7-15/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol?
3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol has a molecular weight of 230.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol is sourced from PubChem (CID 116841028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).