(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol

C12H18O3S — CID 116753823

IUPAC(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
SMILESCOC1(C(O)c2sccc2C)CCOCC1
InChIInChI=1S/C12H18O3S/c1-9-3-8-16-10(9)11(13)12(14-2)4-6-15-7-5-12/h3,8,11,13H,4-7H2,1-2H3
InChIKeyHPMHMUYXPXTTGE-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.29
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol

(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol (PubChem CID 116753823) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
PubChem CID116753823
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
SMILESCOC1(C(O)c2sccc2C)CCOCC1
InChIInChI=1S/C12H18O3S/c1-9-3-8-16-10(9)11(13)12(14-2)4-6-15-7-5-12/h3,8,11,13H,4-7H2,1-2H3
InChIKeyHPMHMUYXPXTTGE-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylthiophen-2-yl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 79989145
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol
CID 116754061
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835
(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol
CID 116753998
N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
1-(4-methoxyoxan-4-yl)-2-methylpropan-1-ol
CID 116753892
(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
CID 105112974
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
CID 107288648
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol
CID 79138969

Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol (CID 116753823) is (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol is COC1(C(O)c2sccc2C)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is HPMHMUYXPXTTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-9-3-8-16-10(9)11(13)12(14-2)4-6-15-7-5-12/h3,8,11,13H,4-7H2,1-2H3.
What are the key properties of (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol?
(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 242.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 116753823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).