5-(4-chlorophenoxy)benzene-1,3-diol

C12H9ClO3 — CID 123195227

IUPAC5-(4-chlorophenoxy)benzene-1,3-diol
SMILESOc1cc(O)cc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H9ClO3/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7,14-15H
InChIKeyUFSACWMMXKQAFC-UHFFFAOYSA-N
MW236.65 g/mol
LogP3.54
Rot. Bonds2

About 5-(4-chlorophenoxy)benzene-1,3-diol

5-(4-chlorophenoxy)benzene-1,3-diol (PubChem CID 123195227) has the molecular formula C12H9ClO3 and a molecular weight of 236.65 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)benzene-1,3-diol.

Molecular Properties

Compound Name5-(4-chlorophenoxy)benzene-1,3-diol
PubChem CID123195227
Molecular FormulaC12H9ClO3
Molecular Weight236.65 g/mol
Exact Mass236.02
IUPAC Name5-(4-chlorophenoxy)benzene-1,3-diol
SMILESOc1cc(O)cc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H9ClO3/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7,14-15H
InChIKeyUFSACWMMXKQAFC-UHFFFAOYSA-N
XLogP3.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
2,6-dichloro-4-(4-chlorophenoxy)phenol
CID 21278927
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830586
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol
CID 101498559
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
2,3-bis(4-chlorophenoxy)naphthalene-1,4-diol
CID 19886874
2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol
CID 71655821
5-phenoxybenzene-1,2,3-triol
CID 14020516
4-chlorophenol
CID 4684
4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 176913788

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)benzene-1,3-diol?
The IUPAC name of 5-(4-chlorophenoxy)benzene-1,3-diol (CID 123195227) is 5-(4-chlorophenoxy)benzene-1,3-diol.
What is the SMILES notation for 5-(4-chlorophenoxy)benzene-1,3-diol?
The canonical SMILES for 5-(4-chlorophenoxy)benzene-1,3-diol is Oc1cc(O)cc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenoxy)benzene-1,3-diol?
The InChIKey is UFSACWMMXKQAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7,14-15H.
What are the key properties of 5-(4-chlorophenoxy)benzene-1,3-diol?
5-(4-chlorophenoxy)benzene-1,3-diol has a molecular weight of 236.65 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)benzene-1,3-diol is sourced from PubChem (CID 123195227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).