(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone

C24H18O2 — CID 169324752

IUPAC(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1
InChIInChI=1S/C24H18O2/c1-26-21-15-20-9-5-6-10-22(20)23(16-21)24(25)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3
InChIKeyOZMISQAMYJICMP-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.75
Rot. Bonds4

About (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone

(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone (PubChem CID 169324752) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone
PubChem CID169324752
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1
InChIInChI=1S/C24H18O2/c1-26-21-15-20-9-5-6-10-22(20)23(16-21)24(25)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3
InChIKeyOZMISQAMYJICMP-UHFFFAOYSA-N
XLogP5.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422
5-methoxy-2-(4-phenylbenzoyl)benzoic acid
CID 69209013
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
1-(4-benzoylnaphthalen-2-yl)ethanone
CID 11311862
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
CID 58858848
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 102418781
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745

Frequently Asked Questions

What is the IUPAC name of (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone (CID 169324752) is (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone is COc1cc(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1.
What is the InChIKey of (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone?
The InChIKey is OZMISQAMYJICMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-26-21-15-20-9-5-6-10-22(20)23(16-21)24(25)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3.
What are the key properties of (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone?
(3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone has a molecular weight of 338.41 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxynaphthalen-1-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 169324752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).