(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol

C16H16BrFO3 — CID 81479752

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2cccc(C)c2F)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-9-5-4-6-10(15(9)18)16(19)11-7-13(20-2)14(21-3)8-12(11)17/h4-8,16,19H,1-3H3
InChIKeyNBNOSLWCXRXHJR-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.00
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol

(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol (PubChem CID 81479752) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
PubChem CID81479752
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2cccc(C)c2F)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-9-5-4-6-10(15(9)18)16(19)11-7-13(20-2)14(21-3)8-12(11)17/h4-8,16,19H,1-3H3
InChIKeyNBNOSLWCXRXHJR-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
1-bromo-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481122
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
CID 81473865
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol (CID 81479752) is (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol is COc1cc(Br)c(C(O)c2cccc(C)c2F)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
The InChIKey is NBNOSLWCXRXHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-9-5-4-6-10(15(9)18)16(19)11-7-13(20-2)14(21-3)8-12(11)17/h4-8,16,19H,1-3H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol?
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol has a molecular weight of 355.20 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 81479752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).