2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol

C14H12Cl2O2 — CID 82051885

IUPAC2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
SMILESCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C14H12Cl2O2/c1-9-2-5-14(13(17)6-9)18-8-10-3-4-11(15)12(16)7-10/h2-7,17H,8H2,1H3
InChIKeyQBDCVMVPAMDDFT-UHFFFAOYSA-N
MW283.15 g/mol
LogP4.59
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol

2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol (PubChem CID 82051885) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
PubChem CID82051885
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
SMILESCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C14H12Cl2O2/c1-9-2-5-14(13(17)6-9)18-8-10-3-4-11(15)12(16)7-10/h2-7,17H,8H2,1H3
InChIKeyQBDCVMVPAMDDFT-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol?
The IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol (CID 82051885) is 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol is Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(O)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol?
The InChIKey is QBDCVMVPAMDDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c1-9-2-5-14(13(17)6-9)18-8-10-3-4-11(15)12(16)7-10/h2-7,17H,8H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol?
2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol has a molecular weight of 283.15 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol is sourced from PubChem (CID 82051885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).