2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene

C22H17ClO2 — CID 165356371

IUPAC2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
SMILESCOc1ccc(-c2cc(Cl)c(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C22H17ClO2/c1-24-21-12-11-16(14-7-3-5-9-17(14)21)19-13-20(23)22(25-2)18-10-6-4-8-15(18)19/h3-13H,1-2H3
InChIKeyMAGFKWKTKYBGHI-UHFFFAOYSA-N
MW348.83 g/mol
LogP6.33
Rot. Bonds3

About 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene

2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene (PubChem CID 165356371) has the molecular formula C22H17ClO2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
PubChem CID165356371
Molecular FormulaC22H17ClO2
Molecular Weight348.83 g/mol
Exact Mass348.09
IUPAC Name2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
SMILESCOc1ccc(-c2cc(Cl)c(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C22H17ClO2/c1-24-21-12-11-16(14-7-3-5-9-17(14)21)19-13-20(23)22(25-2)18-10-6-4-8-15(18)19/h3-13H,1-2H3
InChIKeyMAGFKWKTKYBGHI-UHFFFAOYSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-methoxynaphthalene
CID 606038
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 80646327
1-chloro-9-methoxyphenanthrene
CID 174558891
(4-chloro-1-methoxynaphthalen-2-yl)boronic acid
CID 166475767
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene
CID 173197399
4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine
CID 141066405
1,2-dichloro-4-(2,3-dichloro-4-methoxyphenyl)-3-methoxybenzene
CID 54485127
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene?
The IUPAC name of 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene (CID 165356371) is 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene is COc1ccc(-c2cc(Cl)c(OC)c3ccccc23)c2ccccc12.
What is the InChIKey of 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene?
The InChIKey is MAGFKWKTKYBGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO2/c1-24-21-12-11-16(14-7-3-5-9-17(14)21)19-13-20(23)22(25-2)18-10-6-4-8-15(18)19/h3-13H,1-2H3.
What are the key properties of 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene?
2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene has a molecular weight of 348.83 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene is sourced from PubChem (CID 165356371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).