3,4-dichloro-2-methoxy-5-phenylphenol

C13H10Cl2O2 — CID 133083818

IUPAC3,4-dichloro-2-methoxy-5-phenylphenol
SMILESCOc1c(O)cc(-c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C13H10Cl2O2/c1-17-13-10(16)7-9(11(14)12(13)15)8-5-3-2-4-6-8/h2-7,16H,1H3
InChIKeyQQBHYBWBKHBDET-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.37
Rot. Bonds2

About 3,4-dichloro-2-methoxy-5-phenylphenol

3,4-dichloro-2-methoxy-5-phenylphenol (PubChem CID 133083818) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 3,4-dichloro-2-methoxy-5-phenylphenol.

Molecular Properties

Compound Name3,4-dichloro-2-methoxy-5-phenylphenol
PubChem CID133083818
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name3,4-dichloro-2-methoxy-5-phenylphenol
SMILESCOc1c(O)cc(-c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C13H10Cl2O2/c1-17-13-10(16)7-9(11(14)12(13)15)8-5-3-2-4-6-8/h2-7,16H,1H3
InChIKeyQQBHYBWBKHBDET-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methoxy-5-phenylphenol
CID 132557870
4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203
2-methoxy-3-methyl-5-phenylphenol
CID 132557865
2,3-dimethoxy-5-phenylphenol
CID 135042969
3-methoxy-2-methyl-4-phenylphenol
CID 45097393
3,4-dimethoxy-2-(4-methoxyphenyl)-5-phenylphenol
CID 139590135
2-methoxy-1,3-diphenylbenzene
CID 23524590
3-chloro-1-(chloromethyl)-2-methoxy-4-phenylbenzene
CID 175927011
5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
CID 175958924
2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene
CID 160701879
3-fluoro-2-iodo-6-methoxy-5-phenylphenol
CID 87824112

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-methoxy-5-phenylphenol?
The IUPAC name of 3,4-dichloro-2-methoxy-5-phenylphenol (CID 133083818) is 3,4-dichloro-2-methoxy-5-phenylphenol.
What is the SMILES notation for 3,4-dichloro-2-methoxy-5-phenylphenol?
The canonical SMILES for 3,4-dichloro-2-methoxy-5-phenylphenol is COc1c(O)cc(-c2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-methoxy-5-phenylphenol?
The InChIKey is QQBHYBWBKHBDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c1-17-13-10(16)7-9(11(14)12(13)15)8-5-3-2-4-6-8/h2-7,16H,1H3.
What are the key properties of 3,4-dichloro-2-methoxy-5-phenylphenol?
3,4-dichloro-2-methoxy-5-phenylphenol has a molecular weight of 269.13 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methoxy-5-phenylphenol is sourced from PubChem (CID 133083818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).