4-[(4-chlorophenyl)methoxy]benzene-1,2-diol

C13H11ClO3 — CID 139941742

IUPAC4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
SMILESOc1ccc(OCc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C13H11ClO3/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-7,15-16H,8H2
InChIKeySQAUVMPAWIMWPN-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.33
Rot. Bonds3

About 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol

4-[(4-chlorophenyl)methoxy]benzene-1,2-diol (PubChem CID 139941742) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
PubChem CID139941742
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
SMILESOc1ccc(OCc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C13H11ClO3/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-7,15-16H,8H2
InChIKeySQAUVMPAWIMWPN-UHFFFAOYSA-N
XLogP3.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol
CID 117220430
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183395
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
[3-[(4-chlorophenyl)methoxy]phenoxy]boronic acid
CID 142764738
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141000856
6-[(4-chlorophenyl)methoxy]-1H-indole
CID 154090222
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol (CID 139941742) is 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol is Oc1ccc(OCc2ccc(Cl)cc2)cc1O.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol?
The InChIKey is SQAUVMPAWIMWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-7,15-16H,8H2.
What are the key properties of 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol?
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol has a molecular weight of 250.68 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]benzene-1,2-diol is sourced from PubChem (CID 139941742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).