2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol

C15H14Cl2O3 — CID 21466158

IUPAC2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol
SMILESCC(C)Oc1ccc(Oc2cc(Cl)c(O)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2O3/c1-9(2)19-10-3-5-11(6-4-10)20-15-8-12(16)14(18)7-13(15)17/h3-9,18H,1-2H3
InChIKeyHEPMJLNDRBKSCN-UHFFFAOYSA-N
MW313.18 g/mol
LogP5.28
Rot. Bonds4

About 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol

2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol (PubChem CID 21466158) has the molecular formula C15H14Cl2O3 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol
PubChem CID21466158
Molecular FormulaC15H14Cl2O3
Molecular Weight313.18 g/mol
Exact Mass312.03
IUPAC Name2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol
SMILESCC(C)Oc1ccc(Oc2cc(Cl)c(O)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2O3/c1-9(2)19-10-3-5-11(6-4-10)20-15-8-12(16)14(18)7-13(15)17/h3-9,18H,1-2H3
InChIKeyHEPMJLNDRBKSCN-UHFFFAOYSA-N
XLogP5.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.18
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-(4-hydroxyphenoxy)phenol
CID 14591774
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188
2-chloro-4-(4-propan-2-yloxyphenyl)phenol
CID 83131131
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
1-chloro-2-(3,3-dibromoprop-2-enoxy)-4-methyl-5-(4-propan-2-yloxyphenoxy)benzene
CID 21466144
2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883
propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
CID 12767799
2,5-di(propan-2-yloxy)phenol
CID 57426094
2-(2-chloro-4-methylphenoxy)-5-propan-2-yloxyphenol;2,4-dichloro-1-(4-chloro-2-propan-2-yloxyphenoxy)benzene
CID 160882184
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
N-methyl-1-[4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 43285096
azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 171926213

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol?
The IUPAC name of 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol (CID 21466158) is 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol.
What is the SMILES notation for 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol?
The canonical SMILES for 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol is CC(C)Oc1ccc(Oc2cc(Cl)c(O)cc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol?
The InChIKey is HEPMJLNDRBKSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3/c1-9(2)19-10-3-5-11(6-4-10)20-15-8-12(16)14(18)7-13(15)17/h3-9,18H,1-2H3.
What are the key properties of 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol?
2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol has a molecular weight of 313.18 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol is sourced from PubChem (CID 21466158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).