4-[(3,5-dichlorophenyl)methoxy]phenol

C13H10Cl2O2 — CID 54406351

IUPAC4-[(3,5-dichlorophenyl)methoxy]phenol
SMILESOc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H10Cl2O2/c14-10-5-9(6-11(15)7-10)8-17-13-3-1-12(16)2-4-13/h1-7,16H,8H2
InChIKeyVQYQAIVFJMRTBO-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.28
Rot. Bonds3

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

4-[(3,5-dichlorophenyl)methoxy]phenol (PubChem CID 54406351) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenyl)methoxy]phenol.

Molecular Properties

Compound Name4-[(3,5-dichlorophenyl)methoxy]phenol
PubChem CID54406351
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name4-[(3,5-dichlorophenyl)methoxy]phenol
SMILESOc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H10Cl2O2/c14-10-5-9(6-11(15)7-10)8-17-13-3-1-12(16)2-4-13/h1-7,16H,8H2
InChIKeyVQYQAIVFJMRTBO-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-chloro-5-(phenoxymethyl)benzene
CID 141438053
4-[(3-amino-4-chlorophenyl)methoxy]phenol
CID 117221951
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol
CID 146557507

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorophenyl)methoxy]phenol?
The IUPAC name of 4-[(3,5-dichlorophenyl)methoxy]phenol (CID 54406351) is 4-[(3,5-dichlorophenyl)methoxy]phenol.
What is the SMILES notation for 4-[(3,5-dichlorophenyl)methoxy]phenol?
The canonical SMILES for 4-[(3,5-dichlorophenyl)methoxy]phenol is Oc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-[(3,5-dichlorophenyl)methoxy]phenol?
The InChIKey is VQYQAIVFJMRTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c14-10-5-9(6-11(15)7-10)8-17-13-3-1-12(16)2-4-13/h1-7,16H,8H2.
What are the key properties of 4-[(3,5-dichlorophenyl)methoxy]phenol?
4-[(3,5-dichlorophenyl)methoxy]phenol has a molecular weight of 269.13 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorophenyl)methoxy]phenol is sourced from PubChem (CID 54406351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).