(4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone

C20H14O3S — CID 165129256

IUPAC(4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(c2)S(=O)c2ccccc2-3)cc1
InChIInChI=1S/C20H14O3S/c1-23-15-9-6-13(7-10-15)20(21)14-8-11-17-16-4-2-3-5-18(16)24(22)19(17)12-14/h2-12H,1H3
InChIKeyCUBSSAXVBPURCN-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.07
Rot. Bonds3

About (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone

(4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone (PubChem CID 165129256) has the molecular formula C20H14O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone
PubChem CID165129256
Molecular FormulaC20H14O3S
Molecular Weight334.40 g/mol
Exact Mass334.07
IUPAC Name(4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(c2)S(=O)c2ccccc2-3)cc1
InChIInChI=1S/C20H14O3S/c1-23-15-9-6-13(7-10-15)20(21)14-8-11-17-16-4-2-3-5-18(16)24(22)19(17)12-14/h2-12H,1H3
InChIKeyCUBSSAXVBPURCN-UHFFFAOYSA-N
XLogP4.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
dibenzothiophene 5-oxide
CID 13898
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
2-methoxy-9H-thioxanthene 10-oxide
CID 640900
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone (CID 165129256) is (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone is COc1ccc(C(=O)c2ccc3c(c2)S(=O)c2ccccc2-3)cc1.
What is the InChIKey of (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone?
The InChIKey is CUBSSAXVBPURCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3S/c1-23-15-9-6-13(7-10-15)20(21)14-8-11-17-16-4-2-3-5-18(16)24(22)19(17)12-14/h2-12H,1H3.
What are the key properties of (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone?
(4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone has a molecular weight of 334.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(5-oxodibenzothiophen-3-yl)methanone is sourced from PubChem (CID 165129256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).