7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid

C13H18O4 — CID 140509835

IUPAC7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid
SMILESO=C(O)C(CCCCCO)c1ccccc1O
InChIInChI=1S/C13H18O4/c14-9-5-1-2-7-11(13(16)17)10-6-3-4-8-12(10)15/h3-4,6,8,11,14-15H,1-2,5,7,9H2,(H,16,17)
InChIKeyMLJSTLPQDFWXCS-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.11
Rot. Bonds7

About 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid

7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid (PubChem CID 140509835) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid.

Molecular Properties

Compound Name7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid
PubChem CID140509835
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid
SMILESO=C(O)C(CCCCCO)c1ccccc1O
InChIInChI=1S/C13H18O4/c14-9-5-1-2-7-11(13(16)17)10-6-3-4-8-12(10)15/h3-4,6,8,11,14-15H,1-2,5,7,9H2,(H,16,17)
InChIKeyMLJSTLPQDFWXCS-UHFFFAOYSA-N
XLogP2.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hydroxypentylamino)-2-(2-hydroxyphenyl)acetic acid
CID 158765005
5-hydroxy-2-phenylpentanoic acid
CID 79006638
2-[1,13,13-tris(2-hydroxyphenyl)tridecyl]phenol
CID 19886957
2-naphthalen-1-yldodecanoic acid
CID 23333439
1,2-bis(2-hydroxyphenyl)hexadecan-1-one
CID 142761860
2-(2-ethoxyphenyl)octanoic acid
CID 174447209
2-hydroxybenzoic acid;8-methylnonan-1-ol
CID 157224226
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-(2-pyridin-1-ium-1-ylphenyl)nonadecanoic acid
CID 69480674
2-(2-pyridin-1-ium-1-ylphenyl)tridecanoic acid
CID 69479552
2-(2-methylphenyl)hexanedioic acid
CID 135381848
2-phenyloctadecanedioic acid
CID 23016344

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid?
The IUPAC name of 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid (CID 140509835) is 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid.
What is the SMILES notation for 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid?
The canonical SMILES for 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid is O=C(O)C(CCCCCO)c1ccccc1O.
What is the InChIKey of 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid?
The InChIKey is MLJSTLPQDFWXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c14-9-5-1-2-7-11(13(16)17)10-6-3-4-8-12(10)15/h3-4,6,8,11,14-15H,1-2,5,7,9H2,(H,16,17).
What are the key properties of 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid?
7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid is sourced from PubChem (CID 140509835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).