(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol

C13H19ClO2S — CID 107359647

IUPAC(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2sccc2Cl)CCCCCC1
InChIInChI=1S/C13H19ClO2S/c1-16-13(7-4-2-3-5-8-13)12(15)11-10(14)6-9-17-11/h6,9,12,15H,2-5,7-8H2,1H3
InChIKeyDPQFVONYLUMUAZ-UHFFFAOYSA-N
MW274.81 g/mol
LogP4.17
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol

(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol (PubChem CID 107359647) has the molecular formula C13H19ClO2S and a molecular weight of 274.81 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
PubChem CID107359647
Molecular FormulaC13H19ClO2S
Molecular Weight274.81 g/mol
Exact Mass274.08
IUPAC Name(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2sccc2Cl)CCCCCC1
InChIInChI=1S/C13H19ClO2S/c1-16-13(7-4-2-3-5-8-13)12(15)11-10(14)6-9-17-11/h6,9,12,15H,2-5,7-8H2,1H3
InChIKeyDPQFVONYLUMUAZ-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 107360272
(3-chlorothiophen-2-yl)-(1-phenylcyclopentyl)methanol
CID 107359518
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol
CID 116753501
(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
CID 116753823
(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610351
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chlorothiophene
CID 103557841
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
[1-(aminomethyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanol
CID 127013591
(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 116762604
1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762885
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol (CID 107359647) is (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol is COC1(C(O)c2sccc2Cl)CCCCCC1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol?
The InChIKey is DPQFVONYLUMUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2S/c1-16-13(7-4-2-3-5-8-13)12(15)11-10(14)6-9-17-11/h6,9,12,15H,2-5,7-8H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol?
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol has a molecular weight of 274.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 107359647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).