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

C61H62O9 — CID 158634652

IUPAC1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
SMILESCC(=O)c1ccc(C(C)=O)cc1.COc1ccc(-c2ccc(C)cc2)cc1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(-c2ccccc2)cc1OC.COc1ccc(C(C)=O)cc1
InChIInChI=1S/2C14H14O2.C14H14O.C10H10O2.C9H10O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-15-13-9-8-12(10-14(13)16-2)11-6-4-3-5-7-11;1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8/h2*3-10H,1-2H3;3-10H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyHZPUGXHUMHRMOB-UHFFFAOYSA-N
MW939.16 g/mol
LogP14.40
Rot. Bonds12

About 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

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 (PubChem CID 158634652) has the molecular formula C61H62O9 and a molecular weight of 939.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
PubChem CID158634652
Molecular FormulaC61H62O9
Molecular Weight939.16 g/mol
Exact Mass938.44
IUPAC Name1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
SMILESCC(=O)c1ccc(C(C)=O)cc1.COc1ccc(-c2ccc(C)cc2)cc1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(-c2ccccc2)cc1OC.COc1ccc(C(C)=O)cc1
InChIInChI=1S/2C14H14O2.C14H14O.C10H10O2.C9H10O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-15-13-9-8-12(10-14(13)16-2)11-6-4-3-5-7-11;1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8/h2*3-10H,1-2H3;3-10H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyHZPUGXHUMHRMOB-UHFFFAOYSA-N
XLogP14.40
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.16
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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

1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
anisole;1-phenylethanone;toluene
CID 157308620
[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
[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
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-methoxy-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;1-methyl-4-(4-methylsulfanylphenyl)benzene;1-(4-methylphenyl)ethanone;molecular oxygen
CID 161053566
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
1-(4-methylphenyl)ethanone;phenylboronic acid;1-(4-phenylphenyl)ethanone
CID 165094537

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccc(C(C)=O)cc1.COc1ccc(-c2ccc(C)cc2)cc1.COc1ccc(-c2ccc(OC)cc2)cc1.COc1ccc(-c2ccccc2)cc1OC.COc1ccc(C(C)=O)cc1.
What is the InChIKey of 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?
The InChIKey is HZPUGXHUMHRMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14O2.C14H14O.C10H10O2.C9H10O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;1-15-13-9-8-12(10-14(13)16-2)11-6-4-3-5-7-11;1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8/h2*3-10H,1-2H3;3-10H,1-2H3;3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 939.16 g/mol, XLogP of 14.40, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158634652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).