1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone

C56H58O8 — CID 161237326

IUPAC1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone
SMILESCC(=O)c1ccc(C)cc1.CC(=O)c1cccc(C)c1.CC(=O)c1cccc2ccccc12.CC(=O)c1ccccc1.COc1ccc(C(C)=O)cc1.COc1cccc(C(C)=O)c1
InChIInChI=1S/C12H10O.2C9H10O2.2C9H10O.C8H8O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;1-7(10)8-3-5-9(11-2)6-4-8;1-7(10)8-4-3-5-9(6-8)11-2;1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-7(9)8-5-3-2-4-6-8/h2-8H,1H3;2*3-6H,1-2H3;2*3-6H,1-2H3;2-6H,1H3
InChIKeyUZNXJOGRHRGDBO-UHFFFAOYSA-N
MW859.07 g/mol
LogP13.12
Rot. Bonds8

About 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone

1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone (PubChem CID 161237326) has the molecular formula C56H58O8 and a molecular weight of 859.07 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone
PubChem CID161237326
Molecular FormulaC56H58O8
Molecular Weight859.07 g/mol
Exact Mass858.41
IUPAC Name1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone
SMILESCC(=O)c1ccc(C)cc1.CC(=O)c1cccc(C)c1.CC(=O)c1cccc2ccccc12.CC(=O)c1ccccc1.COc1ccc(C(C)=O)cc1.COc1cccc(C(C)=O)c1
InChIInChI=1S/C12H10O.2C9H10O2.2C9H10O.C8H8O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;1-7(10)8-3-5-9(11-2)6-4-8;1-7(10)8-4-3-5-9(6-8)11-2;1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-7(9)8-5-3-2-4-6-8/h2-8H,1H3;2*3-6H,1-2H3;2*3-6H,1-2H3;2-6H,1H3
InChIKeyUZNXJOGRHRGDBO-UHFFFAOYSA-N
XLogP13.12
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.07
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

anisole;1-phenylethanone;toluene
CID 157308620
1-(5-methoxynaphthalen-1-yl)ethanone;1-(6-methoxynaphthalen-2-yl)ethanone;1-(3-methoxyphenyl)ethanone;bis(1-(4-methoxyphenyl)ethanone);1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 159692280
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
[3-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 161175787
(3-methylbenzoyl) naphthalene-1-carboxylate
CID 87635030
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
1-(6-acetylnaphthalen-2-yl)ethanone;1-(4-acetylphenyl)ethanone;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;bis(1-methoxy-4-(4-methoxyphenyl)benzene);bis(1-(6-methoxynaphthalen-2-yl)ethanone);1-(2-methoxyphenyl)ethanone;tris(1-(4-methoxyphenyl)ethanone)
CID 157460440
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
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
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
(4-acetylphenyl) 3-methylbenzoate
CID 795319

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone?
The IUPAC name of 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone (CID 161237326) is 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone?
The canonical SMILES for 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone is CC(=O)c1ccc(C)cc1.CC(=O)c1cccc(C)c1.CC(=O)c1cccc2ccccc12.CC(=O)c1ccccc1.COc1ccc(C(C)=O)cc1.COc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone?
The InChIKey is UZNXJOGRHRGDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.2C9H10O2.2C9H10O.C8H8O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;1-7(10)8-3-5-9(11-2)6-4-8;1-7(10)8-4-3-5-9(6-8)11-2;1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-7(9)8-5-3-2-4-6-8/h2-8H,1H3;2*3-6H,1-2H3;2*3-6H,1-2H3;2-6H,1H3.
What are the key properties of 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone?
1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone has a molecular weight of 859.07 g/mol, XLogP of 13.12, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone is sourced from PubChem (CID 161237326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).