(5-bromothiophen-2-yl)-(4-propylphenyl)methanone

C14H13BrOS — CID 43462756

IUPAC(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H13BrOS/c1-2-3-10-4-6-11(7-5-10)14(16)12-8-9-13(15)17-12/h4-9H,2-3H2,1H3
InChIKeyUJASKBOZAHUFGM-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.69
Rot. Bonds4

About (5-bromothiophen-2-yl)-(4-propylphenyl)methanone

(5-bromothiophen-2-yl)-(4-propylphenyl)methanone (PubChem CID 43462756) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
PubChem CID43462756
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H13BrOS/c1-2-3-10-4-6-11(7-5-10)14(16)12-8-9-13(15)17-12/h4-9H,2-3H2,1H3
InChIKeyUJASKBOZAHUFGM-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
CID 82093989
(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
CID 61102051
[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
CID 84611700
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
ethane;4-propylbenzoic acid
CID 91047964
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 55882212
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491329
(3-amino-2-bromophenyl)-(4-propylphenyl)methanone
CID 113367205

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-propylphenyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4-propylphenyl)methanone (CID 43462756) is (5-bromothiophen-2-yl)-(4-propylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-propylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-propylphenyl)methanone?
The InChIKey is UJASKBOZAHUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-2-3-10-4-6-11(7-5-10)14(16)12-8-9-13(15)17-12/h4-9H,2-3H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-propylphenyl)methanone?
(5-bromothiophen-2-yl)-(4-propylphenyl)methanone has a molecular weight of 309.23 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-propylphenyl)methanone is sourced from PubChem (CID 43462756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).