(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone

C14H13ClO2S — CID 80529913

IUPAC(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)c2sccc2Cl)c1
InChIInChI=1S/C14H13ClO2S/c1-9(2)17-11-5-3-4-10(8-11)13(16)14-12(15)6-7-18-14/h3-9H,1-2H3
InChIKeyCYBIPKQASNRFMB-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.42
Rot. Bonds4

About (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone

(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 80529913) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID80529913
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)c2sccc2Cl)c1
InChIInChI=1S/C14H13ClO2S/c1-9(2)17-11-5-3-4-10(8-11)13(16)14-12(15)6-7-18-14/h3-9H,1-2H3
InChIKeyCYBIPKQASNRFMB-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
2-hydroxy-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 103453162
(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
CID 114962447
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone (CID 80529913) is (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)c2sccc2Cl)c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is CYBIPKQASNRFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-9(2)17-11-5-3-4-10(8-11)13(16)14-12(15)6-7-18-14/h3-9H,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone?
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 280.78 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 80529913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).