(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol

C12H10Cl2O2 — CID 91656275

IUPAC(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C12H10Cl2O2/c1-7-2-3-11(16-7)12(15)8-4-9(13)6-10(14)5-8/h2-6,12,15H,1H3
InChIKeyXSBIVMNQGQRXTN-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.98
Rot. Bonds2

About (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol

(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol (PubChem CID 91656275) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
PubChem CID91656275
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C12H10Cl2O2/c1-7-2-3-11(16-7)12(15)8-4-9(13)6-10(14)5-8/h2-6,12,15H,1H3
InChIKeyXSBIVMNQGQRXTN-UHFFFAOYSA-N
XLogP3.98
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol?
The IUPAC name of (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol (CID 91656275) is (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol.
What is the SMILES notation for (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol?
The canonical SMILES for (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol is Cc1ccc(C(O)c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol?
The InChIKey is XSBIVMNQGQRXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2/c1-7-2-3-11(16-7)12(15)8-4-9(13)6-10(14)5-8/h2-6,12,15H,1H3.
What are the key properties of (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol?
(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol has a molecular weight of 257.12 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol is sourced from PubChem (CID 91656275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).