(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone

C14H10Cl2OS — CID 55129258

IUPAC(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C14H10Cl2OS/c15-11-8-10(13(16)18-11)12(17)14(6-7-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyLQJDLESQKXJWQE-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.97
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone

(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 55129258) has the molecular formula C14H10Cl2OS and a molecular weight of 297.21 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone
PubChem CID55129258
Molecular FormulaC14H10Cl2OS
Molecular Weight297.21 g/mol
Exact Mass295.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C14H10Cl2OS/c15-11-8-10(13(16)18-11)12(17)14(6-7-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyLQJDLESQKXJWQE-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
(5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone
CID 62879150
(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
CID 102763056
(2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone
CID 62879168
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone
CID 55181920
2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64635343
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103767627
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
1-(2,5-dichlorothiophen-3-yl)-2,2-difluoroethanone
CID 103513606
(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone
CID 63491819

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone (CID 55129258) is (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone is O=C(c1cc(Cl)sc1Cl)C1(c2ccccc2)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is LQJDLESQKXJWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2OS/c15-11-8-10(13(16)18-11)12(17)14(6-7-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone?
(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 297.21 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 55129258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).