1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone

C28H26O4 — CID 91415101

IUPAC1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)cc1.COc1ccc2cc(-c3ccc(C(C)=O)cc3)ccc2c1
InChIInChI=1S/C19H16O2.C9H10O2/c1-13(20)14-3-5-15(6-4-14)16-7-8-18-12-19(21-2)10-9-17(18)11-16;1-7(10)8-3-5-9(11-2)6-4-8/h3-12H,1-2H3;3-6H,1-2H3
InChIKeyOMXRUYPXCCLVBG-UHFFFAOYSA-N
MW426.51 g/mol
LogP6.62
Rot. Bonds5

About 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone

1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone (PubChem CID 91415101) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
PubChem CID91415101
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)cc1.COc1ccc2cc(-c3ccc(C(C)=O)cc3)ccc2c1
InChIInChI=1S/C19H16O2.C9H10O2/c1-13(20)14-3-5-15(6-4-14)16-7-8-18-12-19(21-2)10-9-17(18)11-16;1-7(10)8-3-5-9(11-2)6-4-8/h3-12H,1-2H3;3-6H,1-2H3
InChIKeyOMXRUYPXCCLVBG-UHFFFAOYSA-N
XLogP6.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
CID 58800516
2-methoxy-6-phenylnaphthalene
CID 11253308
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenyl]phenyl]ethanone
CID 158374432
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629
1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 158634652
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
CID 57307184

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone (CID 91415101) is 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone is COc1ccc(C(C)=O)cc1.COc1ccc2cc(-c3ccc(C(C)=O)cc3)ccc2c1.
What is the InChIKey of 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone?
The InChIKey is OMXRUYPXCCLVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2.C9H10O2/c1-13(20)14-3-5-15(6-4-14)16-7-8-18-12-19(21-2)10-9-17(18)11-16;1-7(10)8-3-5-9(11-2)6-4-8/h3-12H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone?
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone has a molecular weight of 426.51 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 91415101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).