(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone

C18H14O2S — CID 82051105

IUPAC(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
SMILESCc1cc(Oc2ccccc2)ccc1C(=O)c1cccs1
InChIInChI=1S/C18H14O2S/c1-13-12-15(20-14-6-3-2-4-7-14)9-10-16(13)18(19)17-8-5-11-21-17/h2-12H,1H3
InChIKeyBEMDILLANLNRTN-UHFFFAOYSA-N
MW294.38 g/mol
LogP5.08
Rot. Bonds4

About (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone

(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone (PubChem CID 82051105) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
PubChem CID82051105
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
SMILESCc1cc(Oc2ccccc2)ccc1C(=O)c1cccs1
InChIInChI=1S/C18H14O2S/c1-13-12-15(20-14-6-3-2-4-7-14)9-10-16(13)18(19)17-8-5-11-21-17/h2-12H,1H3
InChIKeyBEMDILLANLNRTN-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium
CID 140948266
[4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone
CID 122384316
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
(Z)-3-[4-(3,4-dimethylphenoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20992525
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086
4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
(E)-3-[4-(4-chloro-3-methylphenoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20985018
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
CID 134835171
(2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone
CID 174396027
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone (CID 82051105) is (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone is Cc1cc(Oc2ccccc2)ccc1C(=O)c1cccs1.
What is the InChIKey of (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone?
The InChIKey is BEMDILLANLNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c1-13-12-15(20-14-6-3-2-4-7-14)9-10-16(13)18(19)17-8-5-11-21-17/h2-12H,1H3.
What are the key properties of (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone?
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone has a molecular weight of 294.38 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82051105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).