(4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone

C68H70N2O14S — CID 158878047

IUPAC(4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone
SMILESC.CC(=O)c1ccc(O)cc1.CC(=O)c1ccc(OC(=O)Nc2ccccc2)cc1.CC(=O)c1ccc(Oc2ccccc2)cc1.CCOC(=O)Nc1ccc(C(C)=O)cc1.COC(=O)c1cccc(C(C)=O)c1.CSc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H13NO3.C14H12O2.C11H13NO3.C10H10O3.C9H10OS.C8H8O2.CH4/c1-11(17)12-7-9-14(10-8-12)19-15(18)16-13-5-3-2-4-6-13;1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13;1-3-15-11(14)12-10-6-4-9(5-7-10)8(2)13;1-7(11)8-4-3-5-9(6-8)10(12)13-2;1-7(10)8-3-5-9(11-2)6-4-8;1-6(9)7-2-4-8(10)5-3-7;/h2-10H,1H3,(H,16,18);2-10H,1H3;4-7H,3H2,1-2H3,(H,12,14);3-6H,1-2H3;3-6H,1-2H3;2-5,10H,1H3;1H4
InChIKeyJCRKPXFAOCGQOB-UHFFFAOYSA-N
MW1171.37 g/mol
LogP16.16
Rot. Bonds14

About (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone

(4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone (PubChem CID 158878047) has the molecular formula C68H70N2O14S and a molecular weight of 1171.37 g/mol. Its IUPAC name is (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name(4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone
PubChem CID158878047
Molecular FormulaC68H70N2O14S
Molecular Weight1171.37 g/mol
Exact Mass1170.45
IUPAC Name(4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone
SMILESC.CC(=O)c1ccc(O)cc1.CC(=O)c1ccc(OC(=O)Nc2ccccc2)cc1.CC(=O)c1ccc(Oc2ccccc2)cc1.CCOC(=O)Nc1ccc(C(C)=O)cc1.COC(=O)c1cccc(C(C)=O)c1.CSc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H13NO3.C14H12O2.C11H13NO3.C10H10O3.C9H10OS.C8H8O2.CH4/c1-11(17)12-7-9-14(10-8-12)19-15(18)16-13-5-3-2-4-6-13;1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13;1-3-15-11(14)12-10-6-4-9(5-7-10)8(2)13;1-7(11)8-4-3-5-9(6-8)10(12)13-2;1-7(10)8-3-5-9(11-2)6-4-8;1-6(9)7-2-4-8(10)5-3-7;/h2-10H,1H3,(H,16,18);2-10H,1H3;4-7H,3H2,1-2H3,(H,12,14);3-6H,1-2H3;3-6H,1-2H3;2-5,10H,1H3;1H4
InChIKeyJCRKPXFAOCGQOB-UHFFFAOYSA-N
XLogP16.16
TPSA234.84 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.37
LogP ≤ 516.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone?
The IUPAC name of (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone (CID 158878047) is (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone?
The canonical SMILES for (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone is C.CC(=O)c1ccc(O)cc1.CC(=O)c1ccc(OC(=O)Nc2ccccc2)cc1.CC(=O)c1ccc(Oc2ccccc2)cc1.CCOC(=O)Nc1ccc(C(C)=O)cc1.COC(=O)c1cccc(C(C)=O)c1.CSc1ccc(C(C)=O)cc1.
What is the InChIKey of (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone?
The InChIKey is JCRKPXFAOCGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3.C14H12O2.C11H13NO3.C10H10O3.C9H10OS.C8H8O2.CH4/c1-11(17)12-7-9-14(10-8-12)19-15(18)16-13-5-3-2-4-6-13;1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13;1-3-15-11(14)12-10-6-4-9(5-7-10)8(2)13;1-7(11)8-4-3-5-9(6-8)10(12)13-2;1-7(10)8-3-5-9(11-2)6-4-8;1-6(9)7-2-4-8(10)5-3-7;/h2-10H,1H3,(H,16,18);2-10H,1H3;4-7H,3H2,1-2H3,(H,12,14);3-6H,1-2H3;3-6H,1-2H3;2-5,10H,1H3;1H4.
What are the key properties of (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone?
(4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone has a molecular weight of 1171.37 g/mol, XLogP of 16.16, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) N-phenylcarbamate;ethyl N-(4-acetylphenyl)carbamate;1-(4-hydroxyphenyl)ethanone;methane;methyl 3-acetylbenzoate;1-(4-methylsulfanylphenyl)ethanone;1-(4-phenoxyphenyl)ethanone is sourced from PubChem (CID 158878047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).