(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol

C15H14Cl2O3 — CID 61099199

IUPAC(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl2O3/c1-19-9-6-7-13(20-2)11(8-9)15(18)10-4-3-5-12(16)14(10)17/h3-8,15,18H,1-2H3
InChIKeyVDZALHYIZJEUMS-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.09
Rot. Bonds4

About (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol

(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol (PubChem CID 61099199) has the molecular formula C15H14Cl2O3 and a molecular weight of 313.18 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol
PubChem CID61099199
Molecular FormulaC15H14Cl2O3
Molecular Weight313.18 g/mol
Exact Mass312.03
IUPAC Name(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl2O3/c1-19-9-6-7-13(20-2)11(8-9)15(18)10-4-3-5-12(16)14(10)17/h3-8,15,18H,1-2H3
InChIKeyVDZALHYIZJEUMS-UHFFFAOYSA-N
XLogP4.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol?
The IUPAC name of (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol (CID 61099199) is (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol?
The canonical SMILES for (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol is COc1ccc(OC)c(C(O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol?
The InChIKey is VDZALHYIZJEUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3/c1-19-9-6-7-13(20-2)11(8-9)15(18)10-4-3-5-12(16)14(10)17/h3-8,15,18H,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol?
(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol has a molecular weight of 313.18 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 61099199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).