2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol

C15H16O4 — CID 56611171

IUPAC2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
SMILESCCC(c1cc(O)ccc1O)c1cc(O)ccc1O
InChIInChI=1S/C15H16O4/c1-2-11(12-7-9(16)3-5-14(12)18)13-8-10(17)4-6-15(13)19/h3-8,11,16-19H,2H2,1H3
InChIKeyOCANCCAKYXKTST-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.05
Rot. Bonds3

About 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol

2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol (PubChem CID 56611171) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
PubChem CID56611171
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
SMILESCCC(c1cc(O)ccc1O)c1cc(O)ccc1O
InChIInChI=1S/C15H16O4/c1-2-11(12-7-9(16)3-5-14(12)18)13-8-10(17)4-6-15(13)19/h3-8,11,16-19H,2H2,1H3
InChIKeyOCANCCAKYXKTST-UHFFFAOYSA-N
XLogP3.05
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
CID 23019019
2-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,4-diol
CID 131036322
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
2-amino-4-(2,5-dihydroxyphenyl)hexanoic acid
CID 174512800
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
CID 70566041
2-octadecan-3-ylbenzene-1,4-diol
CID 101149425
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
CID 19352790
2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
CID 130034047
3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid
CID 166652499
3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol?
The IUPAC name of 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol (CID 56611171) is 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol is CCC(c1cc(O)ccc1O)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol?
The InChIKey is OCANCCAKYXKTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-2-11(12-7-9(16)3-5-14(12)18)13-8-10(17)4-6-15(13)19/h3-8,11,16-19H,2H2,1H3.
What are the key properties of 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol?
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol has a molecular weight of 260.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol is sourced from PubChem (CID 56611171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).