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

C15H17BrO3 — CID 79084452

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)c(C)cc2OC)o1
InChIInChI=1S/C15H17BrO3/c1-4-10-5-6-13(19-10)15(17)11-8-12(16)9(2)7-14(11)18-3/h5-8,15,17H,4H2,1-3H3
InChIKeyMXUVTOGQCIRIFN-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.00
Rot. Bonds4

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

(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol (PubChem CID 79084452) has the molecular formula C15H17BrO3 and a molecular weight of 325.20 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol
PubChem CID79084452
Molecular FormulaC15H17BrO3
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)c(C)cc2OC)o1
InChIInChI=1S/C15H17BrO3/c1-4-10-5-6-13(19-10)15(17)11-8-12(16)9(2)7-14(11)18-3/h5-8,15,17H,4H2,1-3H3
InChIKeyMXUVTOGQCIRIFN-UHFFFAOYSA-N
XLogP4.00
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105056762
(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol
CID 105057068
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
CID 79217222
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79096339
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
(2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol
CID 81473148

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol (CID 79084452) is (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol is CCc1ccc(C(O)c2cc(Br)c(C)cc2OC)o1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol?
The InChIKey is MXUVTOGQCIRIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO3/c1-4-10-5-6-13(19-10)15(17)11-8-12(16)9(2)7-14(11)18-3/h5-8,15,17H,4H2,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol?
(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol has a molecular weight of 325.20 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 (5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol is sourced from PubChem (CID 79084452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).