2-hydroxy-2,3-diphenyloctadecanoic acid

C30H44O3 — CID 70385778

IUPAC2-hydroxy-2,3-diphenyloctadecanoic acid
SMILESCCCCCCCCCCCCCCCC(c1ccccc1)C(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C30H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-28(26-21-16-14-17-22-26)30(33,29(31)32)27-23-18-15-19-24-27/h14-19,21-24,28,33H,2-13,20,25H2,1H3,(H,31,32)
InChIKeyBWZOFRGDCXBJMP-UHFFFAOYSA-N
MW452.68 g/mol
LogP8.22
Rot. Bonds18

About 2-hydroxy-2,3-diphenyloctadecanoic acid

2-hydroxy-2,3-diphenyloctadecanoic acid (PubChem CID 70385778) has the molecular formula C30H44O3 and a molecular weight of 452.68 g/mol. Its IUPAC name is 2-hydroxy-2,3-diphenyloctadecanoic acid.

Molecular Properties

Compound Name2-hydroxy-2,3-diphenyloctadecanoic acid
PubChem CID70385778
Molecular FormulaC30H44O3
Molecular Weight452.68 g/mol
Exact Mass452.33
IUPAC Name2-hydroxy-2,3-diphenyloctadecanoic acid
SMILESCCCCCCCCCCCCCCCC(c1ccccc1)C(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C30H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-28(26-21-16-14-17-22-26)30(33,29(31)32)27-23-18-15-19-24-27/h14-19,21-24,28,33H,2-13,20,25H2,1H3,(H,31,32)
InChIKeyBWZOFRGDCXBJMP-UHFFFAOYSA-N
XLogP8.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.68
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-triphenyltetradecan-1-amine
CID 87776795
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
3-butyl-2-hydroxy-2-phenylheptanoic acid;octadecanoic acid
CID 175202961
1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
1,1,2-triphenyloctoxyboronic acid
CID 70257152
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
3-ethyl-4-phenyloctadecan-3-amine;hydrochloride
CID 173426899
(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
2,2-dichloroundecan-3-ylbenzene
CID 151571814
5-phenyl-4-propylpentadecan-4-amine;hydrochloride
CID 173426858
4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol
CID 150432163

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-diphenyloctadecanoic acid?
The IUPAC name of 2-hydroxy-2,3-diphenyloctadecanoic acid (CID 70385778) is 2-hydroxy-2,3-diphenyloctadecanoic acid.
What is the SMILES notation for 2-hydroxy-2,3-diphenyloctadecanoic acid?
The canonical SMILES for 2-hydroxy-2,3-diphenyloctadecanoic acid is CCCCCCCCCCCCCCCC(c1ccccc1)C(O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2,3-diphenyloctadecanoic acid?
The InChIKey is BWZOFRGDCXBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-28(26-21-16-14-17-22-26)30(33,29(31)32)27-23-18-15-19-24-27/h14-19,21-24,28,33H,2-13,20,25H2,1H3,(H,31,32).
What are the key properties of 2-hydroxy-2,3-diphenyloctadecanoic acid?
2-hydroxy-2,3-diphenyloctadecanoic acid has a molecular weight of 452.68 g/mol, XLogP of 8.22, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-diphenyloctadecanoic acid is sourced from PubChem (CID 70385778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).