2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol

C15H12Cl4O2 — CID 23499672

IUPAC2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol
SMILESCC(Cc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H12Cl4O2/c1-7(9-5-12(18)15(21)13(19)6-9)2-8-3-10(16)14(20)11(17)4-8/h3-7,20-21H,2H2,1H3
InChIKeyQDAYEQPBBHEJCP-UHFFFAOYSA-N
MW366.07 g/mol
LogP6.06
Rot. Bonds3

About 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol

2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol (PubChem CID 23499672) has the molecular formula C15H12Cl4O2 and a molecular weight of 366.07 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol
PubChem CID23499672
Molecular FormulaC15H12Cl4O2
Molecular Weight366.07 g/mol
Exact Mass363.96
IUPAC Name2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol
SMILESCC(Cc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H12Cl4O2/c1-7(9-5-12(18)15(21)13(19)6-9)2-8-3-10(16)14(20)11(17)4-8/h3-7,20-21H,2H2,1H3
InChIKeyQDAYEQPBBHEJCP-UHFFFAOYSA-N
XLogP6.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.07
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
CID 22112154
2,6-dichloro-4-[1,4,4-tris(3,5-dichloro-4-hydroxyphenyl)butyl]phenol
CID 22725877
2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol
CID 129237584
methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate
CID 69130979
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
2-chloro-4-[3-(3-chloro-4-hydroxy-5-propan-2-ylphenyl)propyl]-6-propan-2-ylphenol
CID 69303493
(2S)-2-amino-3-(3-chloro-4-hydroxy-5-propan-2-ylphenyl)propanoic acid
CID 139968561
(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-1-one
CID 123786202
2-(aminomethyl)-6-chloro-4-propan-2-ylphenol
CID 12652136
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
2-amino-6-chloro-4-propan-2-ylphenol
CID 21209246
4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
CID 171224787

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol?
The IUPAC name of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol (CID 23499672) is 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol is CC(Cc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol?
The InChIKey is QDAYEQPBBHEJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O2/c1-7(9-5-12(18)15(21)13(19)6-9)2-8-3-10(16)14(20)11(17)4-8/h3-7,20-21H,2H2,1H3.
What are the key properties of 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol?
2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol has a molecular weight of 366.07 g/mol, XLogP of 6.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 23499672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).