(4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone

C18H18O3S — CID 66776218

IUPAC(4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2C2OCCCS2)cc1
InChIInChI=1S/C18H18O3S/c1-20-14-9-7-13(8-10-14)17(19)15-5-2-3-6-16(15)18-21-11-4-12-22-18/h2-3,5-10,18H,4,11-12H2,1H3
InChIKeyQTEAZWXECRKIPB-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.08
Rot. Bonds4

About (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone

(4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone (PubChem CID 66776218) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone
PubChem CID66776218
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name(4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2C2OCCCS2)cc1
InChIInChI=1S/C18H18O3S/c1-20-14-9-7-13(8-10-14)17(19)15-5-2-3-6-16(15)18-21-11-4-12-22-18/h2-3,5-10,18H,4,11-12H2,1H3
InChIKeyQTEAZWXECRKIPB-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(4-methoxyphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725410
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 154168626
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone (CID 66776218) is (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone is COc1ccc(C(=O)c2ccccc2C2OCCCS2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone?
The InChIKey is QTEAZWXECRKIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3S/c1-20-14-9-7-13(8-10-14)17(19)15-5-2-3-6-16(15)18-21-11-4-12-22-18/h2-3,5-10,18H,4,11-12H2,1H3.
What are the key properties of (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone?
(4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone has a molecular weight of 314.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(1,3-oxathian-2-yl)phenyl]methanone is sourced from PubChem (CID 66776218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).