(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone

C14H13ClO2S — CID 82052946

IUPAC(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
SMILESCC(C)Oc1ccc(C(=O)c2cccs2)cc1Cl
InChIInChI=1S/C14H13ClO2S/c1-9(2)17-12-6-5-10(8-11(12)15)14(16)13-4-3-7-18-13/h3-9H,1-2H3
InChIKeyWYWSKZYNHJWLLS-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.42
Rot. Bonds4

About (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone

(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone (PubChem CID 82052946) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
PubChem CID82052946
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
SMILESCC(C)Oc1ccc(C(=O)c2cccs2)cc1Cl
InChIInChI=1S/C14H13ClO2S/c1-9(2)17-12-6-5-10(8-11(12)15)14(16)13-4-3-7-18-13/h3-9H,1-2H3
InChIKeyWYWSKZYNHJWLLS-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-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82152491
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
3-(3-chloro-4-propan-2-yloxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83953051
(3-hydroxy-2,2-dimethylpropyl) 2-[2-chloro-4-(thiophene-2-carbonyl)phenoxy]acetate
CID 46911390
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
2-[2-bromo-4-(thiophene-2-carbonyl)phenoxy]butanoic acid
CID 54452091
ethane;(2,3,4,5,6-pentafluorophenyl) 3-chloro-4-propan-2-yloxybenzoate
CID 143135030
3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 43727172
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621
[4-(1,1-dihydroxypropan-2-yl)phenyl]-thiophen-2-ylmethanone
CID 70586978
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
3-hydroxypropyl 3-chloro-4-propan-2-yloxybenzoate
CID 71193897

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone (CID 82052946) is (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone is CC(C)Oc1ccc(C(=O)c2cccs2)cc1Cl.
What is the InChIKey of (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone?
The InChIKey is WYWSKZYNHJWLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-9(2)17-12-6-5-10(8-11(12)15)14(16)13-4-3-7-18-13/h3-9H,1-2H3.
What are the key properties of (3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone?
(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone 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-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82052946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).