[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol

C15H13BrF2O3 — CID 106264377

IUPAC[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol
SMILESCOc1cccc(CO)c1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrF2O3/c1-20-13-4-2-3-9(7-19)15(13)21-8-10-12(17)6-5-11(16)14(10)18/h2-6,19H,7-8H2,1H3
InChIKeyYQWVYSCDDNOCPJ-UHFFFAOYSA-N
MW359.17 g/mol
LogP3.81
Rot. Bonds5

About [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol

[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol (PubChem CID 106264377) has the molecular formula C15H13BrF2O3 and a molecular weight of 359.17 g/mol. Its IUPAC name is [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol
PubChem CID106264377
Molecular FormulaC15H13BrF2O3
Molecular Weight359.17 g/mol
Exact Mass358.00
IUPAC Name[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol
SMILESCOc1cccc(CO)c1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrF2O3/c1-20-13-4-2-3-9(7-19)15(13)21-8-10-12(17)6-5-11(16)14(10)18/h2-6,19H,7-8H2,1H3
InChIKeyYQWVYSCDDNOCPJ-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 53.81
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-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 106264385
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
1-bromo-3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264502
[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 62550020
[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262960
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159
3-[(3-bromo-2,6-difluorophenyl)methoxy]-2-methylaniline
CID 106262816
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol (CID 106264377) is [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol is COc1cccc(CO)c1OCc1c(F)ccc(Br)c1F.
What is the InChIKey of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol?
The InChIKey is YQWVYSCDDNOCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O3/c1-20-13-4-2-3-9(7-19)15(13)21-8-10-12(17)6-5-11(16)14(10)18/h2-6,19H,7-8H2,1H3.
What are the key properties of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol?
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol has a molecular weight of 359.17 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 106264377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).