(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol

C13H12Cl2O2 — CID 61081015

IUPAC(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)c(Cl)c2)c(C)o1
InChIInChI=1S/C13H12Cl2O2/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13,16H,1-2H3
InChIKeyGWUVKHGKTMZIRJ-UHFFFAOYSA-N
MW271.14 g/mol
LogP4.28
Rot. Bonds2

About (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol

(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol (PubChem CID 61081015) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
PubChem CID61081015
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)c(Cl)c2)c(C)o1
InChIInChI=1S/C13H12Cl2O2/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13,16H,1-2H3
InChIKeyGWUVKHGKTMZIRJ-UHFFFAOYSA-N
XLogP4.28
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61100714
(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61270452
(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 79747617
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862
(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol
CID 115827884
3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran
CID 63530762
(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 55133392
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838981
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101846
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol (CID 61081015) is (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol is Cc1cc(C(O)c2ccc(Cl)c(Cl)c2)c(C)o1.
What is the InChIKey of (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The InChIKey is GWUVKHGKTMZIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13,16H,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol has a molecular weight of 271.14 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol is sourced from PubChem (CID 61081015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).