2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol

C14H20Cl2O — CID 129237584

IUPAC2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol
SMILESCC(C)CC(c1cc(Cl)c(O)c(Cl)c1)C(C)C
InChIInChI=1S/C14H20Cl2O/c1-8(2)5-11(9(3)4)10-6-12(15)14(17)13(16)7-10/h6-9,11,17H,5H2,1-4H3
InChIKeyJBVKDLZLDLSILO-UHFFFAOYSA-N
MW275.22 g/mol
LogP5.48
Rot. Bonds4

About 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol

2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol (PubChem CID 129237584) has the molecular formula C14H20Cl2O and a molecular weight of 275.22 g/mol. Its IUPAC name is 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol
PubChem CID129237584
Molecular FormulaC14H20Cl2O
Molecular Weight275.22 g/mol
Exact Mass274.09
IUPAC Name2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol
SMILESCC(C)CC(c1cc(Cl)c(O)c(Cl)c1)C(C)C
InChIInChI=1S/C14H20Cl2O/c1-8(2)5-11(9(3)4)10-6-12(15)14(17)13(16)7-10/h6-9,11,17H,5H2,1-4H3
InChIKeyJBVKDLZLDLSILO-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.22
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686
2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propyl]phenol
CID 23499672
2,6-dichloro-4-[1,4,4-tris(3,5-dichloro-4-hydroxyphenyl)butyl]phenol
CID 22725877
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
2-tert-butyl-5-(2,5-dimethylhexan-3-yl)-1,3-difluorobenzene
CID 123719056
[4-(2,5-dimethylhexan-3-yl)phenyl]methanol
CID 58807001
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 82082656
2,4-bis(3,5-dichloro-4-hydroxyphenyl)-3,3-dimethylpentanedioic acid
CID 70600870
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-(2,5-dimethylhexan-3-yl)phenol?
The IUPAC name of 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol (CID 129237584) is 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol.
What is the SMILES notation for 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol?
The canonical SMILES for 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol is CC(C)CC(c1cc(Cl)c(O)c(Cl)c1)C(C)C.
What is the InChIKey of 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol?
The InChIKey is JBVKDLZLDLSILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O/c1-8(2)5-11(9(3)4)10-6-12(15)14(17)13(16)7-10/h6-9,11,17H,5H2,1-4H3.
What are the key properties of 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol?
2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol has a molecular weight of 275.22 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2,5-dimethylhexan-3-yl)phenol is sourced from PubChem (CID 129237584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).