2,2-bis(4-hydroxyphenyl)nonanedioic acid

C21H24O6 — CID 68957715

IUPAC2,2-bis(4-hydroxyphenyl)nonanedioic acid
SMILESO=C(O)CCCCCCC(C(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H24O6/c22-17-10-6-15(7-11-17)21(20(26)27,16-8-12-18(23)13-9-16)14-4-2-1-3-5-19(24)25/h6-13,22-23H,1-5,14H2,(H,24,25)(H,26,27)
InChIKeyHUAUSRBJWRPBBE-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.89
Rot. Bonds10

About 2,2-bis(4-hydroxyphenyl)nonanedioic acid

2,2-bis(4-hydroxyphenyl)nonanedioic acid (PubChem CID 68957715) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2,2-bis(4-hydroxyphenyl)nonanedioic acid.

Molecular Properties

Compound Name2,2-bis(4-hydroxyphenyl)nonanedioic acid
PubChem CID68957715
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2,2-bis(4-hydroxyphenyl)nonanedioic acid
SMILESO=C(O)CCCCCCC(C(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H24O6/c22-17-10-6-15(7-11-17)21(20(26)27,16-8-12-18(23)13-9-16)14-4-2-1-3-5-19(24)25/h6-13,22-23H,1-5,14H2,(H,24,25)(H,26,27)
InChIKeyHUAUSRBJWRPBBE-UHFFFAOYSA-N
XLogP3.89
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.89
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

10-(4-hydroxyphenyl)-10-methyl-11-oxoundecanoic acid
CID 138723448
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
2-(2-hydroxy-4-methoxyphenyl)-2-phenyldodecanedioic acid
CID 90740167
hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
CID 159142492
4,4-bis(4-hydroxyphenyl)heptadecanoic acid
CID 68655548
5-(4-hydroxyphenyl)-2,2,5-trimethylnonanedioic acid
CID 70464957
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
calcium;hydride;octadecanoic acid;phenol
CID 173411979
5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid
CID 138465689
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
pentanedioic acid;phenol
CID 160999244

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-hydroxyphenyl)nonanedioic acid?
The IUPAC name of 2,2-bis(4-hydroxyphenyl)nonanedioic acid (CID 68957715) is 2,2-bis(4-hydroxyphenyl)nonanedioic acid.
What is the SMILES notation for 2,2-bis(4-hydroxyphenyl)nonanedioic acid?
The canonical SMILES for 2,2-bis(4-hydroxyphenyl)nonanedioic acid is O=C(O)CCCCCCC(C(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2,2-bis(4-hydroxyphenyl)nonanedioic acid?
The InChIKey is HUAUSRBJWRPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c22-17-10-6-15(7-11-17)21(20(26)27,16-8-12-18(23)13-9-16)14-4-2-1-3-5-19(24)25/h6-13,22-23H,1-5,14H2,(H,24,25)(H,26,27).
What are the key properties of 2,2-bis(4-hydroxyphenyl)nonanedioic acid?
2,2-bis(4-hydroxyphenyl)nonanedioic acid has a molecular weight of 372.42 g/mol, XLogP of 3.89, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-hydroxyphenyl)nonanedioic acid is sourced from PubChem (CID 68957715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).