6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol

C18H13Cl3O — CID 10569972

IUPAC6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol
SMILESCc1cc(-c2ccc(Cl)c(C)c2Cl)c2cc(Cl)ccc2c1O
InChIInChI=1S/C18H13Cl3O/c1-9-7-14(12-5-6-16(20)10(2)17(12)21)15-8-11(19)3-4-13(15)18(9)22/h3-8,22H,1-2H3
InChIKeyJGTRJBGGGFUMIP-UHFFFAOYSA-N
MW351.66 g/mol
LogP6.79
Rot. Bonds1

About 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol

6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol (PubChem CID 10569972) has the molecular formula C18H13Cl3O and a molecular weight of 351.66 g/mol. Its IUPAC name is 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol.

Molecular Properties

Compound Name6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol
PubChem CID10569972
Molecular FormulaC18H13Cl3O
Molecular Weight351.66 g/mol
Exact Mass350.00
IUPAC Name6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol
SMILESCc1cc(-c2ccc(Cl)c(C)c2Cl)c2cc(Cl)ccc2c1O
InChIInChI=1S/C18H13Cl3O/c1-9-7-14(12-5-6-16(20)10(2)17(12)21)15-8-11(19)3-4-13(15)18(9)22/h3-8,22H,1-2H3
InChIKeyJGTRJBGGGFUMIP-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol
CID 10853949
6-chloro-2-methyl-4-phenylnaphthalen-1-ol
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3-bromo-4-(2,5-dichlorophenyl)-2-methylnaphthalen-1-ol
CID 10523931
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7-chloro-1,2-dimethyl-4-phenylnaphthalene
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4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol
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1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
2-chloro-10-hydroxyanthracene-9-diazonium
CID 20536808
1,3-dichloro-4-(2,5-dichlorophenyl)-2-methylsulfonylbenzene
CID 71343206
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
CID 123499878

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol?
The IUPAC name of 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol (CID 10569972) is 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol.
What is the SMILES notation for 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol?
The canonical SMILES for 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol is Cc1cc(-c2ccc(Cl)c(C)c2Cl)c2cc(Cl)ccc2c1O.
What is the InChIKey of 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol?
The InChIKey is JGTRJBGGGFUMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3O/c1-9-7-14(12-5-6-16(20)10(2)17(12)21)15-8-11(19)3-4-13(15)18(9)22/h3-8,22H,1-2H3.
What are the key properties of 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol?
6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol has a molecular weight of 351.66 g/mol, XLogP of 6.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol is sourced from PubChem (CID 10569972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).