2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene

C18H14Cl2O — CID 90146696

IUPAC2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene
SMILESCc1ccc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1
InChIInChI=1S/C18H14Cl2O/c1-12-2-4-14-5-6-16(10-15(14)8-12)21-11-13-3-7-17(19)18(20)9-13/h2-10H,11H2,1H3
InChIKeyDMNNTLZCAXMWFW-UHFFFAOYSA-N
MW317.22 g/mol
LogP6.03
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene

2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene (PubChem CID 90146696) has the molecular formula C18H14Cl2O and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene
PubChem CID90146696
Molecular FormulaC18H14Cl2O
Molecular Weight317.22 g/mol
Exact Mass316.04
IUPAC Name2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene
SMILESCc1ccc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1
InChIInChI=1S/C18H14Cl2O/c1-12-2-4-14-5-6-16(10-15(14)8-12)21-11-13-3-7-17(19)18(20)9-13/h2-10H,11H2,1H3
InChIKeyDMNNTLZCAXMWFW-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[(3,4-dichlorophenyl)methoxy]naphthalen-2-ol
CID 43326484
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
CID 82051885
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
2,3-dichloro-6-methylnaphthalene
CID 21366530
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
CID 134244114
2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene
CID 63535589
7-[(3,5-dimethylphenyl)methoxy]naphthalen-2-ol
CID 63549894
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
CID 174759962
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene?
The IUPAC name of 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene (CID 90146696) is 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene is Cc1ccc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene?
The InChIKey is DMNNTLZCAXMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O/c1-12-2-4-14-5-6-16(10-15(14)8-12)21-11-13-3-7-17(19)18(20)9-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene?
2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene has a molecular weight of 317.22 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene is sourced from PubChem (CID 90146696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).