(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol

C14H18F2O2 — CID 82822613

IUPAC(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol
SMILESCc1ccc(F)c(C(O)C2(C)CCCCO2)c1F
InChIInChI=1S/C14H18F2O2/c1-9-5-6-10(15)11(12(9)16)13(17)14(2)7-3-4-8-18-14/h5-6,13,17H,3-4,7-8H2,1-2H3
InChIKeyPCEGGLKTLYJAMA-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.27
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol

(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol (PubChem CID 82822613) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol
PubChem CID82822613
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol
SMILESCc1ccc(F)c(C(O)C2(C)CCCCO2)c1F
InChIInChI=1S/C14H18F2O2/c1-9-5-6-10(15)11(12(9)16)13(17)14(2)7-3-4-8-18-14/h5-6,13,17H,3-4,7-8H2,1-2H3
InChIKeyPCEGGLKTLYJAMA-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol (CID 82822613) is (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol is Cc1ccc(F)c(C(O)C2(C)CCCCO2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol?
The InChIKey is PCEGGLKTLYJAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-9-5-6-10(15)11(12(9)16)13(17)14(2)7-3-4-8-18-14/h5-6,13,17H,3-4,7-8H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol?
(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol has a molecular weight of 256.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol is sourced from PubChem (CID 82822613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).