(1-methoxycycloheptyl)-thiophen-2-ylmethanone

C13H18O2S — CID 116750550

IUPAC(1-methoxycycloheptyl)-thiophen-2-ylmethanone
SMILESCOC1(C(=O)c2cccs2)CCCCCC1
InChIInChI=1S/C13H18O2S/c1-15-13(8-4-2-3-5-9-13)12(14)11-7-6-10-16-11/h6-7,10H,2-5,8-9H2,1H3
InChIKeyWBVXLYGUILIFSQ-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.67
Rot. Bonds3

About (1-methoxycycloheptyl)-thiophen-2-ylmethanone

(1-methoxycycloheptyl)-thiophen-2-ylmethanone (PubChem CID 116750550) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-thiophen-2-ylmethanone
PubChem CID116750550
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(1-methoxycycloheptyl)-thiophen-2-ylmethanone
SMILESCOC1(C(=O)c2cccs2)CCCCCC1
InChIInChI=1S/C13H18O2S/c1-15-13(8-4-2-3-5-9-13)12(14)11-7-6-10-16-11/h6-7,10H,2-5,8-9H2,1H3
InChIKeyWBVXLYGUILIFSQ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010
(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
CID 116750454
[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethanone
CID 79067610
(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
CID 104610097
1-(thiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 116920934
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
CID 116748021
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-thiophen-2-ylmethanone?
The IUPAC name of (1-methoxycycloheptyl)-thiophen-2-ylmethanone (CID 116750550) is (1-methoxycycloheptyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1-methoxycycloheptyl)-thiophen-2-ylmethanone?
The canonical SMILES for (1-methoxycycloheptyl)-thiophen-2-ylmethanone is COC1(C(=O)c2cccs2)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-thiophen-2-ylmethanone?
The InChIKey is WBVXLYGUILIFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-15-13(8-4-2-3-5-9-13)12(14)11-7-6-10-16-11/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of (1-methoxycycloheptyl)-thiophen-2-ylmethanone?
(1-methoxycycloheptyl)-thiophen-2-ylmethanone has a molecular weight of 238.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 116750550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).