10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid

C30H52O4 — CID 23471248

IUPAC10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
SMILESCCCCCCCCCCCCCCc1cc(O)c(CCCCCCCCCC(=O)O)cc1O
InChIInChI=1S/C30H52O4/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-26-24-29(32)27(25-28(26)31)22-19-16-13-11-14-17-20-23-30(33)34/h24-25,31-32H,2-23H2,1H3,(H,33,34)
InChIKeyPUEGSAXRCIPPNV-UHFFFAOYSA-N
MW476.74 g/mol
LogP9.09
Rot. Bonds23

About 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid

10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid (PubChem CID 23471248) has the molecular formula C30H52O4 and a molecular weight of 476.74 g/mol. Its IUPAC name is 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid.

Molecular Properties

Compound Name10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
PubChem CID23471248
Molecular FormulaC30H52O4
Molecular Weight476.74 g/mol
Exact Mass476.39
IUPAC Name10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
SMILESCCCCCCCCCCCCCCc1cc(O)c(CCCCCCCCCC(=O)O)cc1O
InChIInChI=1S/C30H52O4/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-26-24-29(32)27(25-28(26)31)22-19-16-13-11-14-17-20-23-30(33)34/h24-25,31-32H,2-23H2,1H3,(H,33,34)
InChIKeyPUEGSAXRCIPPNV-UHFFFAOYSA-N
XLogP9.09
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.74
LogP ≤ 59.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786
4,4-bis(4-hydroxy-2,5-dipentylphenyl)pentanoic acid
CID 154091937
hexanoic acid;2-hexylbenzene-1,3-diol
CID 175405171
4,5-didecylbenzene-1,2-diol
CID 15667809
benzene-1,2,3,4,5,6-hexol;pentakis(octadecanoic acid)
CID 160555816
10-[2-(9-carboxynonyl)-3-pentylphenyl]decanoic acid
CID 152622243
10-[2-(9-carboxynonyl)-3-heptylphenyl]decanoic acid
CID 151550347
benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
octadecanoic acid
CID 157075632
decanoic acid;heptanoic acid;nonanoic acid;octanoic acid
CID 163854999

Frequently Asked Questions

What is the IUPAC name of 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid?
The IUPAC name of 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid (CID 23471248) is 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid.
What is the SMILES notation for 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid?
The canonical SMILES for 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid is CCCCCCCCCCCCCCc1cc(O)c(CCCCCCCCCC(=O)O)cc1O.
What is the InChIKey of 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid?
The InChIKey is PUEGSAXRCIPPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O4/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-26-24-29(32)27(25-28(26)31)22-19-16-13-11-14-17-20-23-30(33)34/h24-25,31-32H,2-23H2,1H3,(H,33,34).
What are the key properties of 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid?
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid has a molecular weight of 476.74 g/mol, XLogP of 9.09, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid is sourced from PubChem (CID 23471248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).