(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone

C14H14OS — CID 114962640

IUPAC(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(C)c(C)s2)c1
InChIInChI=1S/C14H14OS/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)11(3)16-13/h4-8H,1-3H3
InChIKeyJRJQEGOVHMSEKJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.90
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone

(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone (PubChem CID 114962640) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone
PubChem CID114962640
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(C)c(C)s2)c1
InChIInChI=1S/C14H14OS/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)11(3)16-13/h4-8H,1-3H3
InChIKeyJRJQEGOVHMSEKJ-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
CID 115791309
bis(3-methylphenyl)methanone
CID 17848
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 65237167
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
(4-bromo-5-methylthiophen-2-yl)-(3-iodophenyl)methanone
CID 102826651
1-(3-methylphenyl)butan-1-one
CID 4304992
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(3-methylbenzoyl)azanium
CID 153183849
3-methylbenzoic acid
CID 7418

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone (CID 114962640) is (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cc(C)c(C)s2)c1.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone?
The InChIKey is JRJQEGOVHMSEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)11(3)16-13/h4-8H,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone?
(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone has a molecular weight of 230.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 114962640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).