1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene

C18H14Cl2O2 — CID 22048158

IUPAC1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene
SMILESCOc1ccc(-c2ccc3c(Cl)c(OC)ccc3c2Cl)cc1
InChIInChI=1S/C18H14Cl2O2/c1-21-12-5-3-11(4-6-12)13-7-8-15-14(17(13)19)9-10-16(22-2)18(15)20/h3-10H,1-2H3
InChIKeyWXOOBAUMMZAVDP-UHFFFAOYSA-N
MW333.21 g/mol
LogP5.83
Rot. Bonds3

About 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene

1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene (PubChem CID 22048158) has the molecular formula C18H14Cl2O2 and a molecular weight of 333.21 g/mol. Its IUPAC name is 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene.

Molecular Properties

Compound Name1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene
PubChem CID22048158
Molecular FormulaC18H14Cl2O2
Molecular Weight333.21 g/mol
Exact Mass332.04
IUPAC Name1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene
SMILESCOc1ccc(-c2ccc3c(Cl)c(OC)ccc3c2Cl)cc1
InChIInChI=1S/C18H14Cl2O2/c1-21-12-5-3-11(4-6-12)13-7-8-15-14(17(13)19)9-10-16(22-2)18(15)20/h3-10H,1-2H3
InChIKeyWXOOBAUMMZAVDP-UHFFFAOYSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.21
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119020781
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
2,4,8-trichloro-7-methoxyquinazoline
CID 170552146
6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine
CID 170855643

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene?
The IUPAC name of 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene (CID 22048158) is 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene.
What is the SMILES notation for 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene?
The canonical SMILES for 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene is COc1ccc(-c2ccc3c(Cl)c(OC)ccc3c2Cl)cc1.
What is the InChIKey of 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene?
The InChIKey is WXOOBAUMMZAVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O2/c1-21-12-5-3-11(4-6-12)13-7-8-15-14(17(13)19)9-10-16(22-2)18(15)20/h3-10H,1-2H3.
What are the key properties of 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene?
1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene has a molecular weight of 333.21 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-methoxy-6-(4-methoxyphenyl)naphthalene is sourced from PubChem (CID 22048158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).