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

C19H16Cl2O — CID 10853949

IUPAC4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol
SMILESCc1ccc2c(O)c(C)cc(-c3ccc(Cl)c(C)c3Cl)c2c1
InChIInChI=1S/C19H16Cl2O/c1-10-4-5-14-15(8-10)16(9-11(2)19(14)22)13-6-7-17(20)12(3)18(13)21/h4-9,22H,1-3H3
InChIKeyQBNPUVRIBGJBMN-UHFFFAOYSA-N
MW331.24 g/mol
LogP6.44
Rot. Bonds1

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

4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol (PubChem CID 10853949) has the molecular formula C19H16Cl2O and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol.

Molecular Properties

Compound Name4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol
PubChem CID10853949
Molecular FormulaC19H16Cl2O
Molecular Weight331.24 g/mol
Exact Mass330.06
IUPAC Name4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol
SMILESCc1ccc2c(O)c(C)cc(-c3ccc(Cl)c(C)c3Cl)c2c1
InChIInChI=1S/C19H16Cl2O/c1-10-4-5-14-15(8-10)16(9-11(2)19(14)22)13-6-7-17(20)12(3)18(13)21/h4-9,22H,1-3H3
InChIKeyQBNPUVRIBGJBMN-UHFFFAOYSA-N
XLogP6.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.24
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-4-(2,4-dichloro-3-methylphenyl)-2-methylnaphthalen-1-ol
CID 10569972
2,6-dimethylnaphthalene-1,4-diol
CID 121008161
6-chloro-2-methyl-4-phenylnaphthalen-1-ol
CID 11054690
2,3,6,7-tetramethylnaphthalen-1-ol;2,3,6-trimethylnaphthalen-1-ol;2,3,7-trimethylnaphthalen-1-ol
CID 158189800
2-chloro-5-(2-chloro-4-methylphenyl)phenol
CID 53221345
2-(3-chloro-2-methylphenyl)-4-methylphenol
CID 159941781
1-chloro-2,4-dimethylbenzene;phenol
CID 159221266
2-fluoro-6-methylnaphthalene-1,4-diol
CID 163406658
1-chloro-6-methylnaphthalen-2-ol
CID 90360576
1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 170132314
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
1,2,4,6-tetramethylnaphthalene
CID 54387778

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol?
The IUPAC name of 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol (CID 10853949) is 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol.
What is the SMILES notation for 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol?
The canonical SMILES for 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol is Cc1ccc2c(O)c(C)cc(-c3ccc(Cl)c(C)c3Cl)c2c1.
What is the InChIKey of 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol?
The InChIKey is QBNPUVRIBGJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O/c1-10-4-5-14-15(8-10)16(9-11(2)19(14)22)13-6-7-17(20)12(3)18(13)21/h4-9,22H,1-3H3.
What are the key properties of 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol?
4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol has a molecular weight of 331.24 g/mol, XLogP of 6.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-3-methylphenyl)-2,6-dimethylnaphthalen-1-ol is sourced from PubChem (CID 10853949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).