(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

C16H16F2O3 — CID 61081893

IUPAC(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2c(F)cccc2F)cc1OC
InChIInChI=1S/C16H16F2O3/c1-9-7-13(20-2)14(21-3)8-10(9)16(19)15-11(17)5-4-6-12(15)18/h4-8,16,19H,1-3H3
InChIKeyQCQVFJQOMUFYOM-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.37
Rot. Bonds4

About (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (PubChem CID 61081893) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
PubChem CID61081893
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2c(F)cccc2F)cc1OC
InChIInChI=1S/C16H16F2O3/c1-9-7-13(20-2)14(21-3)8-10(9)16(19)15-11(17)5-4-6-12(15)18/h4-8,16,19H,1-3H3
InChIKeyQCQVFJQOMUFYOM-UHFFFAOYSA-N
XLogP3.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-6-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65433478
1-[chloro-(2-chloro-6-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63434780
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(2,6-difluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432506
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
1-[chloro-(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61084472
(2,5-dimethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 65433281
(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The IUPAC name of (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (CID 61081893) is (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.
What is the SMILES notation for (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The canonical SMILES for (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is COc1cc(C)c(C(O)c2c(F)cccc2F)cc1OC.
What is the InChIKey of (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The InChIKey is QCQVFJQOMUFYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-9-7-13(20-2)14(21-3)8-10(9)16(19)15-11(17)5-4-6-12(15)18/h4-8,16,19H,1-3H3.
What are the key properties of (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol has a molecular weight of 294.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is sourced from PubChem (CID 61081893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).