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

C68H68O12 — CID 159692280

IUPAC1-(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
SMILESCOc1ccc(-c2ccc(C(C)=O)cc2)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1.COc1ccc2cc(C(C)=O)ccc2c1.COc1cccc(C(C)=O)c1.COc1cccc2c(C(C)=O)cccc12
InChIInChI=1S/C15H14O2.2C13H12O2.3C9H10O2/c1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14;1-9(14)10-5-3-7-12-11(10)6-4-8-13(12)15-2;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;2*1-7(10)8-3-5-9(11-2)6-4-8;1-7(10)8-4-3-5-9(6-8)11-2/h3-10H,1-2H3;2*3-8H,1-2H3;3*3-6H,1-2H3
InChIKeyMWOKDNUSJHLRHJ-UHFFFAOYSA-N
MW1077.28 g/mol
LogP15.36
Rot. Bonds13

About 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

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 (PubChem CID 159692280) has the molecular formula C68H68O12 and a molecular weight of 1077.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159692280
Molecular FormulaC68H68O12
Molecular Weight1077.28 g/mol
Exact Mass1076.47
IUPAC Name1-(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
SMILESCOc1ccc(-c2ccc(C(C)=O)cc2)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1.COc1ccc2cc(C(C)=O)ccc2c1.COc1cccc(C(C)=O)c1.COc1cccc2c(C(C)=O)cccc12
InChIInChI=1S/C15H14O2.2C13H12O2.3C9H10O2/c1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14;1-9(14)10-5-3-7-12-11(10)6-4-8-13(12)15-2;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;2*1-7(10)8-3-5-9(11-2)6-4-8;1-7(10)8-4-3-5-9(6-8)11-2/h3-10H,1-2H3;2*3-8H,1-2H3;3*3-6H,1-2H3
InChIKeyMWOKDNUSJHLRHJ-UHFFFAOYSA-N
XLogP15.36
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001077.28
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
1-(3-methoxyphenyl)ethanone;1-(4-methoxyphenyl)ethanone;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-naphthalen-1-ylethanone;1-phenylethanone
CID 161237326
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
(4-acetyl-2-methoxyphenyl) 3-methoxybenzoate
CID 8868766
2-(3-acetylphenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307790
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
CID 58800516

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2ccc(C(C)=O)cc2)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(C(C)=O)cc1.COc1ccc2cc(C(C)=O)ccc2c1.COc1cccc(C(C)=O)c1.COc1cccc2c(C(C)=O)cccc12.
What is the InChIKey of 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?
The InChIKey is MWOKDNUSJHLRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.2C13H12O2.3C9H10O2/c1-11(16)12-3-5-13(6-4-12)14-7-9-15(17-2)10-8-14;1-9(14)10-5-3-7-12-11(10)6-4-8-13(12)15-2;1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;2*1-7(10)8-3-5-9(11-2)6-4-8;1-7(10)8-4-3-5-9(6-8)11-2/h3-10H,1-2H3;2*3-8H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1077.28 g/mol, XLogP of 15.36, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159692280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).