(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol

C13H13BrO3 — CID 65434718

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1ccco1
InChIInChI=1S/C13H13BrO3/c1-8-6-12(16-2)9(7-10(8)14)13(15)11-4-3-5-17-11/h3-7,13,15H,1-2H3
InChIKeyXKUOPAVCXSQMNV-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.44
Rot. Bonds3

About (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol

(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol (PubChem CID 65434718) has the molecular formula C13H13BrO3 and a molecular weight of 297.15 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
PubChem CID65434718
Molecular FormulaC13H13BrO3
Molecular Weight297.15 g/mol
Exact Mass296.00
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1ccco1
InChIInChI=1S/C13H13BrO3/c1-8-6-12(16-2)9(7-10(8)14)13(15)11-4-3-5-17-11/h3-7,13,15H,1-2H3
InChIKeyXKUOPAVCXSQMNV-UHFFFAOYSA-N
XLogP3.44
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
CID 81473673
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol
CID 79084452
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 62867118
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
CID 79217222
2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan
CID 61096008
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol (CID 65434718) is (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol is COc1cc(C)c(Br)cc1C(O)c1ccco1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol?
The InChIKey is XKUOPAVCXSQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3/c1-8-6-12(16-2)9(7-10(8)14)13(15)11-4-3-5-17-11/h3-7,13,15H,1-2H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol?
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol has a molecular weight of 297.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol is sourced from PubChem (CID 65434718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).