4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid

C12H16O4S — CID 66438211

IUPAC4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCC2(O)CCCCC2)cs1
InChIInChI=1S/C12H16O4S/c13-11(14)10-6-9(7-17-10)16-8-12(15)4-2-1-3-5-12/h6-7,15H,1-5,8H2,(H,13,14)
InChIKeyYLGGCQWCHGJABH-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.52
Rot. Bonds4

About 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid

4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66438211) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid
PubChem CID66438211
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCC2(O)CCCCC2)cs1
InChIInChI=1S/C12H16O4S/c13-11(14)10-6-9(7-17-10)16-8-12(15)4-2-1-3-5-12/h6-7,15H,1-5,8H2,(H,13,14)
InChIKeyYLGGCQWCHGJABH-UHFFFAOYSA-N
XLogP2.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid
CID 102950982
4-[2-oxo-2-(prop-2-ynylamino)ethoxy]thiophene-2-carboxylic acid
CID 66436706
4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
CID 107671203
4-[3-(carbamoylamino)-3-oxopropoxy]thiophene-2-carboxylic acid
CID 66439508
4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
CID 66437990
4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid
CID 79554740
4-(2-propoxyethoxy)thiophene-2-carboxylic acid
CID 106449466
4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid
CID 103132685
3-[(1-hydroxycyclopentyl)methoxy]-5-methylthiophene-2-carboxylic acid
CID 65213841
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
3,5-dibromo-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid
CID 107738643

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid (CID 66438211) is 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1cc(OCC2(O)CCCCC2)cs1.
What is the InChIKey of 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is YLGGCQWCHGJABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c13-11(14)10-6-9(7-17-10)16-8-12(15)4-2-1-3-5-12/h6-7,15H,1-5,8H2,(H,13,14).
What are the key properties of 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid?
4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 256.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66438211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).