(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone

C14H20O2S — CID 116750454

IUPAC(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
SMILESCOC1(C(=O)c2ccc(C)s2)CCCCCC1
InChIInChI=1S/C14H20O2S/c1-11-7-8-12(17-11)13(15)14(16-2)9-5-3-4-6-10-14/h7-8H,3-6,9-10H2,1-2H3
InChIKeyMZRIQSWJBDXVDR-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.98
Rot. Bonds3

About (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone

(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 116750454) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
PubChem CID116750454
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
SMILESCOC1(C(=O)c2ccc(C)s2)CCCCCC1
InChIInChI=1S/C14H20O2S/c1-11-7-8-12(17-11)13(15)14(16-2)9-5-3-4-6-10-14/h7-8H,3-6,9-10H2,1-2H3
InChIKeyMZRIQSWJBDXVDR-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanone
CID 116750224
(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
CID 116747750
(1-methoxycycloheptyl)-thiophen-2-ylmethanone
CID 116750550
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010
(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
CID 104610097
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
CID 55082075
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
CID 116707055

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone (CID 116750454) is (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone is COC1(C(=O)c2ccc(C)s2)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is MZRIQSWJBDXVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-11-7-8-12(17-11)13(15)14(16-2)9-5-3-4-6-10-14/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone?
(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 116750454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).