2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C17H24F2O2 — CID 63471376

IUPAC2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C17H24F2O2/c1-4-17(2,3)11-5-7-14(20)16(9-11)21-15-8-6-12(18)10-13(15)19/h6,8,10-11,14,16,20H,4-5,7,9H2,1-3H3
InChIKeyKEGVIHHDWNHQNT-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.31
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 63471376) has the molecular formula C17H24F2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID63471376
Molecular FormulaC17H24F2O2
Molecular Weight298.37 g/mol
Exact Mass298.17
IUPAC Name2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C17H24F2O2/c1-4-17(2,3)11-5-7-14(20)16(9-11)21-15-8-6-12(18)10-13(15)19/h6,8,10-11,14,16,20H,4-5,7,9H2,1-3H3
InChIKeyKEGVIHHDWNHQNT-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 63471376) is 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(Oc2ccc(F)cc2F)C1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is KEGVIHHDWNHQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2/c1-4-17(2,3)11-5-7-14(20)16(9-11)21-15-8-6-12(18)10-13(15)19/h6,8,10-11,14,16,20H,4-5,7,9H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 298.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 63471376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).