(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol

C15H13BrF2O3 — CID 106941240

IUPAC(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H13BrF2O3/c1-20-8-3-6-12(21-2)9(7-8)15(19)13-11(17)5-4-10(16)14(13)18/h3-7,15,19H,1-2H3
InChIKeyLNRFDAGEHWQLAN-UHFFFAOYSA-N
MW359.17 g/mol
LogP3.83
Rot. Bonds4

About (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol

(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol (PubChem CID 106941240) has the molecular formula C15H13BrF2O3 and a molecular weight of 359.17 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
PubChem CID106941240
Molecular FormulaC15H13BrF2O3
Molecular Weight359.17 g/mol
Exact Mass358.00
IUPAC Name(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H13BrF2O3/c1-20-8-3-6-12(21-2)9(7-8)15(19)13-11(17)5-4-10(16)14(13)18/h3-7,15,19H,1-2H3
InChIKeyLNRFDAGEHWQLAN-UHFFFAOYSA-N
XLogP3.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-dimethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 65433281
(3,5-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61100568
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(3-bromo-2,6-difluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 106944890
(2,5-dimethoxyphenyl)-(3-fluorophenyl)methanol
CID 61099370
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106945408
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 107538784
[(2-bromo-6-fluorophenyl)-(2,5-dimethoxyphenyl)methyl]hydrazine
CID 105280478

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol (CID 106941240) is (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol is COc1ccc(OC)c(C(O)c2c(F)ccc(Br)c2F)c1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol?
The InChIKey is LNRFDAGEHWQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O3/c1-20-8-3-6-12(21-2)9(7-8)15(19)13-11(17)5-4-10(16)14(13)18/h3-7,15,19H,1-2H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol?
(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol has a molecular weight of 359.17 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 106941240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).