(3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol

C15H14F2O2S — CID 162383671

IUPAC(3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol
SMILESC=CCOc1c(C(O)c2ccc(C)s2)ccc(F)c1F
InChIInChI=1S/C15H14F2O2S/c1-3-8-19-15-10(5-6-11(16)13(15)17)14(18)12-7-4-9(2)20-12/h3-7,14,18H,1,8H2,2H3
InChIKeyABEHNIWEIAJNHH-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.98
Rot. Bonds5

About (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol

(3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol (PubChem CID 162383671) has the molecular formula C15H14F2O2S and a molecular weight of 296.34 g/mol. Its IUPAC name is (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol
PubChem CID162383671
Molecular FormulaC15H14F2O2S
Molecular Weight296.34 g/mol
Exact Mass296.07
IUPAC Name(3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol
SMILESC=CCOc1c(C(O)c2ccc(C)s2)ccc(F)c1F
InChIInChI=1S/C15H14F2O2S/c1-3-8-19-15-10(5-6-11(16)13(15)17)14(18)12-7-4-9(2)20-12/h3-7,14,18H,1,8H2,2H3
InChIKeyABEHNIWEIAJNHH-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol (CID 162383671) is (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol is C=CCOc1c(C(O)c2ccc(C)s2)ccc(F)c1F.
What is the InChIKey of (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is ABEHNIWEIAJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2S/c1-3-8-19-15-10(5-6-11(16)13(15)17)14(18)12-7-4-9(2)20-12/h3-7,14,18H,1,8H2,2H3.
What are the key properties of (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol?
(3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 296.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2-prop-2-enoxyphenyl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 162383671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).