[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol

C16H16F2O2 — CID 79888635

IUPAC[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
SMILESCc1ccc(COc2c(F)cc(CO)cc2F)cc1C
InChIInChI=1S/C16H16F2O2/c1-10-3-4-12(5-11(10)2)9-20-16-14(17)6-13(8-19)7-15(16)18/h3-7,19H,8-9H2,1-2H3
InChIKeyDGUXGHQHUAMELA-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.65
Rot. Bonds4

About [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol

[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol (PubChem CID 79888635) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
PubChem CID79888635
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
SMILESCc1ccc(COc2c(F)cc(CO)cc2F)cc1C
InChIInChI=1S/C16H16F2O2/c1-10-3-4-12(5-11(10)2)9-20-16-14(17)6-13(8-19)7-15(16)18/h3-7,19H,8-9H2,1-2H3
InChIKeyDGUXGHQHUAMELA-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol (CID 79888635) is [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol is Cc1ccc(COc2c(F)cc(CO)cc2F)cc1C.
What is the InChIKey of [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol?
The InChIKey is DGUXGHQHUAMELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-10-3-4-12(5-11(10)2)9-20-16-14(17)6-13(8-19)7-15(16)18/h3-7,19H,8-9H2,1-2H3.
What are the key properties of [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol?
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol has a molecular weight of 278.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 79888635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).