3-hydroxypentanoic acid;phthalic acid

C13H16O7 — CID 68926664

IUPAC3-hydroxypentanoic acid;phthalic acid
SMILESCCC(O)CC(=O)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C5H10O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-4(6)3-5(7)8/h1-4H,(H,9,10)(H,11,12);4,6H,2-3H2,1H3,(H,7,8)
InChIKeyYNHBYTGHOWAMDC-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.32
Rot. Bonds5

About 3-hydroxypentanoic acid;phthalic acid

3-hydroxypentanoic acid;phthalic acid (PubChem CID 68926664) has the molecular formula C13H16O7 and a molecular weight of 284.26 g/mol. Its IUPAC name is 3-hydroxypentanoic acid;phthalic acid.

Molecular Properties

Compound Name3-hydroxypentanoic acid;phthalic acid
PubChem CID68926664
Molecular FormulaC13H16O7
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name3-hydroxypentanoic acid;phthalic acid
SMILESCCC(O)CC(=O)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C5H10O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-4(6)3-5(7)8/h1-4H,(H,9,10)(H,11,12);4,6H,2-3H2,1H3,(H,7,8)
InChIKeyYNHBYTGHOWAMDC-UHFFFAOYSA-N
XLogP1.32
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxypentanoic acid;methanol
CID 174973747
2-hydroxybenzoic acid;3-hydroxybutanoic acid
CID 159574969
heptan-3-ol;2-hydroxybenzoic acid
CID 158076933
3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
2-(2-carboxyphenyl)butanedioic acid
CID 121217336
1-hydroxypropyl propanoate;phthalic acid
CID 174837889
methanediol;phthalic acid
CID 70525231
decane;phthalic acid
CID 158763790
phthalic acid;propanal
CID 160555514
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypentanoic acid;phthalic acid?
The IUPAC name of 3-hydroxypentanoic acid;phthalic acid (CID 68926664) is 3-hydroxypentanoic acid;phthalic acid.
What is the SMILES notation for 3-hydroxypentanoic acid;phthalic acid?
The canonical SMILES for 3-hydroxypentanoic acid;phthalic acid is CCC(O)CC(=O)O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 3-hydroxypentanoic acid;phthalic acid?
The InChIKey is YNHBYTGHOWAMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C5H10O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-4(6)3-5(7)8/h1-4H,(H,9,10)(H,11,12);4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 3-hydroxypentanoic acid;phthalic acid?
3-hydroxypentanoic acid;phthalic acid has a molecular weight of 284.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentanoic acid;phthalic acid is sourced from PubChem (CID 68926664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).