2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid

C24H30O6 — CID 70479873

IUPAC2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1CCCCCCCCCCc1cc(O)ccc1C(=O)O
InChIInChI=1S/C24H30O6/c25-19-11-13-21(23(27)28)17(15-19)9-7-5-3-1-2-4-6-8-10-18-16-20(26)12-14-22(18)24(29)30/h11-16,25-26H,1-10H2,(H,27,28)(H,29,30)
InChIKeyPTCSRPCOYVRVDO-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.40
Rot. Bonds13

About 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid

2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid (PubChem CID 70479873) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid
PubChem CID70479873
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1CCCCCCCCCCc1cc(O)ccc1C(=O)O
InChIInChI=1S/C24H30O6/c25-19-11-13-21(23(27)28)17(15-19)9-7-5-3-1-2-4-6-8-10-18-16-20(26)12-14-22(18)24(29)30/h11-16,25-26H,1-10H2,(H,27,28)(H,29,30)
InChIKeyPTCSRPCOYVRVDO-UHFFFAOYSA-N
XLogP5.40
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-octadecylbenzoic acid
CID 23112599
4-hydroxy-2-pentadecylbenzoic acid
CID 69021357
4-hydroxy-2-pentylbenzoic acid
CID 23618603
hexyl 4-hydroxybenzoate;2-hexyl-4-hydroxybenzoic acid
CID 161294107
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
2-heptadecylterephthalic acid
CID 19597057
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
4-hydroxy-2-(3-methyl-2-oxobutyl)benzoic acid
CID 148723621
4-methyl-2-tetradecylbenzoic acid
CID 174671102
2-hexyl-4-methylbenzoic acid
CID 67543918
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
4-amino-2-hexadecylbenzoic acid
CID 167455079

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid?
The IUPAC name of 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid (CID 70479873) is 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid.
What is the SMILES notation for 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid?
The canonical SMILES for 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1CCCCCCCCCCc1cc(O)ccc1C(=O)O.
What is the InChIKey of 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid?
The InChIKey is PTCSRPCOYVRVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c25-19-11-13-21(23(27)28)17(15-19)9-7-5-3-1-2-4-6-8-10-18-16-20(26)12-14-22(18)24(29)30/h11-16,25-26H,1-10H2,(H,27,28)(H,29,30).
What are the key properties of 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid?
2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid has a molecular weight of 414.50 g/mol, XLogP of 5.40, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid is sourced from PubChem (CID 70479873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).