2,4-dichloro-6-(3-methylpentyl)phenol

C12H16Cl2O — CID 143655603

IUPAC2,4-dichloro-6-(3-methylpentyl)phenol
SMILESCCC(C)CCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H16Cl2O/c1-3-8(2)4-5-9-6-10(13)7-11(14)12(9)15/h6-8,15H,3-5H2,1-2H3
InChIKeyQJYBPHHRTLWOGO-UHFFFAOYSA-N
MW247.16 g/mol
LogP4.68
Rot. Bonds4

About 2,4-dichloro-6-(3-methylpentyl)phenol

2,4-dichloro-6-(3-methylpentyl)phenol (PubChem CID 143655603) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-methylpentyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(3-methylpentyl)phenol
PubChem CID143655603
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name2,4-dichloro-6-(3-methylpentyl)phenol
SMILESCCC(C)CCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H16Cl2O/c1-3-8(2)4-5-9-6-10(13)7-11(14)12(9)15/h6-8,15H,3-5H2,1-2H3
InChIKeyQJYBPHHRTLWOGO-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2,4-dichloro-6-[2-(methylamino)ethyl]phenol
CID 83889183
2,4-dichloro-6-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449211
2-[(Z)-but-2-enyl]-4,6-dichlorophenol
CID 92532445
3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247
2,4-dichloro-6-[[methyl(3-methylbutyl)amino]methyl]phenol
CID 82986125
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 43207158
1-chloro-3-methyl-5-(3-methylpentyl)benzene
CID 170769556
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
2,4-dichloro-6-[(2-methylpropoxyamino)methyl]phenol
CID 82709104
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-methylpentyl)phenol?
The IUPAC name of 2,4-dichloro-6-(3-methylpentyl)phenol (CID 143655603) is 2,4-dichloro-6-(3-methylpentyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(3-methylpentyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(3-methylpentyl)phenol is CCC(C)CCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(3-methylpentyl)phenol?
The InChIKey is QJYBPHHRTLWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c1-3-8(2)4-5-9-6-10(13)7-11(14)12(9)15/h6-8,15H,3-5H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(3-methylpentyl)phenol?
2,4-dichloro-6-(3-methylpentyl)phenol has a molecular weight of 247.16 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3-methylpentyl)phenol is sourced from PubChem (CID 143655603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).