1,5-bis(2,5-dihydroxyphenyl)pentan-3-one

C17H18O5 — CID 141060265

IUPAC1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
SMILESO=C(CCc1cc(O)ccc1O)CCc1cc(O)ccc1O
InChIInChI=1S/C17H18O5/c18-13(3-1-11-9-14(19)5-7-16(11)21)4-2-12-10-15(20)6-8-17(12)22/h5-10,19-22H,1-4H2
InChIKeyDYWKMVOIOUHKGY-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.64
Rot. Bonds6

About 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one

1,5-bis(2,5-dihydroxyphenyl)pentan-3-one (PubChem CID 141060265) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
PubChem CID141060265
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
SMILESO=C(CCc1cc(O)ccc1O)CCc1cc(O)ccc1O
InChIInChI=1S/C17H18O5/c18-13(3-1-11-9-14(19)5-7-16(11)21)4-2-12-10-15(20)6-8-17(12)22/h5-10,19-22H,1-4H2
InChIKeyDYWKMVOIOUHKGY-UHFFFAOYSA-N
XLogP2.64
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
2-(3-methylbut-3-enyl)benzene-1,4-diol
CID 23318481
3-(2,5-dihydroxyphenyl)-1-piperidin-1-ylpropan-1-one
CID 169223305
1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
CID 154180149
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
1-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)pentan-3-one
CID 56847287
2-[2-[carboxymethyl-[(2,5-dihydroxyphenyl)methyl]amino]ethyl-[(2,5-dihydroxyphenyl)methyl]amino]acetic acid
CID 70833151
3-(2-formyl-5-hydroxyphenyl)propanoic acid
CID 117284284
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
2-tridecylbenzene-1,4-diol
CID 19033717
1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one
CID 174781443
2-(aminomethyl)benzene-1,4-diol;hydrobromide
CID 21390124

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one?
The IUPAC name of 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one (CID 141060265) is 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one?
The canonical SMILES for 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one is O=C(CCc1cc(O)ccc1O)CCc1cc(O)ccc1O.
What is the InChIKey of 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one?
The InChIKey is DYWKMVOIOUHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c18-13(3-1-11-9-14(19)5-7-16(11)21)4-2-12-10-15(20)6-8-17(12)22/h5-10,19-22H,1-4H2.
What are the key properties of 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one?
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one has a molecular weight of 302.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,5-dihydroxyphenyl)pentan-3-one is sourced from PubChem (CID 141060265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).