2-(4-chlorophenyl)-7-methoxynaphthalene

C17H13ClO — CID 54239176

IUPAC2-(4-chlorophenyl)-7-methoxynaphthalene
SMILESCOc1ccc2ccc(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H13ClO/c1-19-17-9-6-13-2-3-14(10-15(13)11-17)12-4-7-16(18)8-5-12/h2-11H,1H3
InChIKeyBTNHIPFXWITZAL-UHFFFAOYSA-N
MW268.74 g/mol
LogP5.17
Rot. Bonds2

About 2-(4-chlorophenyl)-7-methoxynaphthalene

2-(4-chlorophenyl)-7-methoxynaphthalene (PubChem CID 54239176) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methoxynaphthalene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methoxynaphthalene
PubChem CID54239176
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name2-(4-chlorophenyl)-7-methoxynaphthalene
SMILESCOc1ccc2ccc(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H13ClO/c1-19-17-9-6-13-2-3-14(10-15(13)11-17)12-4-7-16(18)8-5-12/h2-11H,1H3
InChIKeyBTNHIPFXWITZAL-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.74
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
2-methoxy-6-phenylnaphthalene
CID 11253308
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-methoxynaphthalene?
The IUPAC name of 2-(4-chlorophenyl)-7-methoxynaphthalene (CID 54239176) is 2-(4-chlorophenyl)-7-methoxynaphthalene.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methoxynaphthalene?
The canonical SMILES for 2-(4-chlorophenyl)-7-methoxynaphthalene is COc1ccc2ccc(-c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-7-methoxynaphthalene?
The InChIKey is BTNHIPFXWITZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c1-19-17-9-6-13-2-3-14(10-15(13)11-17)12-4-7-16(18)8-5-12/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-methoxynaphthalene?
2-(4-chlorophenyl)-7-methoxynaphthalene has a molecular weight of 268.74 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methoxynaphthalene is sourced from PubChem (CID 54239176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).