(4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone

C18H13ClO2 — CID 604058

IUPAC(4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H13ClO2/c1-21-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(19)9-7-12/h2-11H,1H3
InChIKeyLKQLIJUPOHGVOM-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.73
Rot. Bonds3

About (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone

(4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone (PubChem CID 604058) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone
PubChem CID604058
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name(4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H13ClO2/c1-21-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(19)9-7-12/h2-11H,1H3
InChIKeyLKQLIJUPOHGVOM-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone (CID 604058) is (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone is COc1ccc(C(=O)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone?
The InChIKey is LKQLIJUPOHGVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c1-21-17-11-10-16(14-4-2-3-5-15(14)17)18(20)12-6-8-13(19)9-7-12/h2-11H,1H3.
What are the key properties of (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone?
(4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone has a molecular weight of 296.75 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 604058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).