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

C13H12Cl2O2 — CID 61270452

IUPAC(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)cc2Cl)c(C)o1
InChIInChI=1S/C13H12Cl2O2/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6,13,16H,1-2H3
InChIKeyRLVSRYJBVDYJFC-UHFFFAOYSA-N
MW271.14 g/mol
LogP4.28
Rot. Bonds2

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

(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol (PubChem CID 61270452) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
PubChem CID61270452
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)cc2Cl)c(C)o1
InChIInChI=1S/C13H12Cl2O2/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6,13,16H,1-2H3
InChIKeyRLVSRYJBVDYJFC-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-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61081015
(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol
CID 57098054
(2,4-dichlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 167910776
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol
CID 102842552
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101852
(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 79747617
(2,4-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816626

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol (CID 61270452) is (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol is Cc1cc(C(O)c2ccc(Cl)cc2Cl)c(C)o1.
What is the InChIKey of (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The InChIKey is RLVSRYJBVDYJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6,13,16H,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
(2,4-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 (2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol is sourced from PubChem (CID 61270452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).