[3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol

C11H14F2O2 — CID 91657019

IUPAC[3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol
SMILESCC(C)COc1cc(CO)cc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-7(2)6-15-10-4-8(5-14)3-9(12)11(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeySMBVQAKGNBFKPW-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.49
Rot. Bonds4

About [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol

[3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol (PubChem CID 91657019) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol
PubChem CID91657019
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name[3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol
SMILESCC(C)COc1cc(CO)cc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-7(2)6-15-10-4-8(5-14)3-9(12)11(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeySMBVQAKGNBFKPW-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol?
The IUPAC name of [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol (CID 91657019) is [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol.
What is the SMILES notation for [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol?
The canonical SMILES for [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol is CC(C)COc1cc(CO)cc(F)c1F.
What is the InChIKey of [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol?
The InChIKey is SMBVQAKGNBFKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-7(2)6-15-10-4-8(5-14)3-9(12)11(10)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol?
[3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol has a molecular weight of 216.23 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol is sourced from PubChem (CID 91657019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).