1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone

C33H34O6 — CID 161177780

IUPAC1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
SMILESCC(=O)c1cccc(C(C)=O)c1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H14O2.C10H10O2.C9H10O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8/h3-10H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyUSASZFGPUCORCA-UHFFFAOYSA-N
MW526.63 g/mol
LogP7.36
Rot. Bonds7

About 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone

1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone (PubChem CID 161177780) has the molecular formula C33H34O6 and a molecular weight of 526.63 g/mol. Its IUPAC name is 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
PubChem CID161177780
Molecular FormulaC33H34O6
Molecular Weight526.63 g/mol
Exact Mass526.24
IUPAC Name1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
SMILESCC(=O)c1cccc(C(C)=O)c1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H14O2.C10H10O2.C9H10O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8/h3-10H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyUSASZFGPUCORCA-UHFFFAOYSA-N
XLogP7.36
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
[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
(4-acetylphenyl) 3-acetylbenzoate
CID 58763507
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
[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
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
[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-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
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
anisole;1-phenylethanone;toluene
CID 157308620
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone (CID 161177780) is 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone is CC(=O)c1cccc(C(C)=O)c1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone?
The InChIKey is USASZFGPUCORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C10H10O2.C9H10O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-7(11)9-4-3-5-10(6-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8/h3-10H,1-2H3;3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone?
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone has a molecular weight of 526.63 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 161177780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).