5-(2-hydroxypentyl)benzene-1,3-diol

C11H16O3 — CID 170457997

IUPAC5-(2-hydroxypentyl)benzene-1,3-diol
SMILESCCCC(O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C11H16O3/c1-2-3-9(12)4-8-5-10(13)7-11(14)6-8/h5-7,9,12-14H,2-4H2,1H3
InChIKeyFBXRKUNPYUVOIP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.80
Rot. Bonds4

About 5-(2-hydroxypentyl)benzene-1,3-diol

5-(2-hydroxypentyl)benzene-1,3-diol (PubChem CID 170457997) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(2-hydroxypentyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2-hydroxypentyl)benzene-1,3-diol
PubChem CID170457997
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name5-(2-hydroxypentyl)benzene-1,3-diol
SMILESCCCC(O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C11H16O3/c1-2-3-9(12)4-8-5-10(13)7-11(14)6-8/h5-7,9,12-14H,2-4H2,1H3
InChIKeyFBXRKUNPYUVOIP-UHFFFAOYSA-N
XLogP1.80
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypentyl)benzene-1,3-diol?
The IUPAC name of 5-(2-hydroxypentyl)benzene-1,3-diol (CID 170457997) is 5-(2-hydroxypentyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2-hydroxypentyl)benzene-1,3-diol?
The canonical SMILES for 5-(2-hydroxypentyl)benzene-1,3-diol is CCCC(O)Cc1cc(O)cc(O)c1.
What is the InChIKey of 5-(2-hydroxypentyl)benzene-1,3-diol?
The InChIKey is FBXRKUNPYUVOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-3-9(12)4-8-5-10(13)7-11(14)6-8/h5-7,9,12-14H,2-4H2,1H3.
What are the key properties of 5-(2-hydroxypentyl)benzene-1,3-diol?
5-(2-hydroxypentyl)benzene-1,3-diol has a molecular weight of 196.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypentyl)benzene-1,3-diol is sourced from PubChem (CID 170457997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).