(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol

C18H20F2O — CID 66257837

IUPAC(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2cccc(F)c2F)cc1
InChIInChI=1S/C18H20F2O/c1-4-18(2,3)13-10-8-12(9-11-13)17(21)14-6-5-7-15(19)16(14)20/h5-11,17,21H,4H2,1-3H3
InChIKeyZTSJRXVWKCPDDD-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.73
Rot. Bonds4

About (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol

(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol (PubChem CID 66257837) has the molecular formula C18H20F2O and a molecular weight of 290.35 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
PubChem CID66257837
Molecular FormulaC18H20F2O
Molecular Weight290.35 g/mol
Exact Mass290.15
IUPAC Name(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2cccc(F)c2F)cc1
InChIInChI=1S/C18H20F2O/c1-4-18(2,3)13-10-8-12(9-11-13)17(21)14-6-5-7-15(19)16(14)20/h5-11,17,21H,4H2,1-3H3
InChIKeyZTSJRXVWKCPDDD-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The IUPAC name of (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol (CID 66257837) is (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The canonical SMILES for (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol is CCC(C)(C)c1ccc(C(O)c2cccc(F)c2F)cc1.
What is the InChIKey of (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The InChIKey is ZTSJRXVWKCPDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O/c1-4-18(2,3)13-10-8-12(9-11-13)17(21)14-6-5-7-15(19)16(14)20/h5-11,17,21H,4H2,1-3H3.
What are the key properties of (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol has a molecular weight of 290.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 66257837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).