4-(1-hydroxycyclopentyl)benzene-1,3-diol

C11H14O3 — CID 117104157

IUPAC4-(1-hydroxycyclopentyl)benzene-1,3-diol
SMILESOc1ccc(C2(O)CCCC2)c(O)c1
InChIInChI=1S/C11H14O3/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7,12-14H,1-2,5-6H2
InChIKeySXSMTSRIBJPDGR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.86
Rot. Bonds1

About 4-(1-hydroxycyclopentyl)benzene-1,3-diol

4-(1-hydroxycyclopentyl)benzene-1,3-diol (PubChem CID 117104157) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(1-hydroxycyclopentyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-hydroxycyclopentyl)benzene-1,3-diol
PubChem CID117104157
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-(1-hydroxycyclopentyl)benzene-1,3-diol
SMILESOc1ccc(C2(O)CCCC2)c(O)c1
InChIInChI=1S/C11H14O3/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7,12-14H,1-2,5-6H2
InChIKeySXSMTSRIBJPDGR-UHFFFAOYSA-N
XLogP1.86
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclopentyl)benzene-1,3-diol?
The IUPAC name of 4-(1-hydroxycyclopentyl)benzene-1,3-diol (CID 117104157) is 4-(1-hydroxycyclopentyl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-hydroxycyclopentyl)benzene-1,3-diol?
The canonical SMILES for 4-(1-hydroxycyclopentyl)benzene-1,3-diol is Oc1ccc(C2(O)CCCC2)c(O)c1.
What is the InChIKey of 4-(1-hydroxycyclopentyl)benzene-1,3-diol?
The InChIKey is SXSMTSRIBJPDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7,12-14H,1-2,5-6H2.
What are the key properties of 4-(1-hydroxycyclopentyl)benzene-1,3-diol?
4-(1-hydroxycyclopentyl)benzene-1,3-diol has a molecular weight of 194.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclopentyl)benzene-1,3-diol is sourced from PubChem (CID 117104157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).