2-(1,1,2-triphenylhexoxy)acetic acid

C26H28O3 — CID 175075419

IUPAC2-(1,1,2-triphenylhexoxy)acetic acid
SMILESCCCCC(c1ccccc1)C(OCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O3/c1-2-3-19-24(21-13-7-4-8-14-21)26(29-20-25(27)28,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,2-3,19-20H2,1H3,(H,27,28)
InChIKeyQSLAGNRADPJZQL-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.01
Rot. Bonds10

About 2-(1,1,2-triphenylhexoxy)acetic acid

2-(1,1,2-triphenylhexoxy)acetic acid (PubChem CID 175075419) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(1,1,2-triphenylhexoxy)acetic acid.

Molecular Properties

Compound Name2-(1,1,2-triphenylhexoxy)acetic acid
PubChem CID175075419
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name2-(1,1,2-triphenylhexoxy)acetic acid
SMILESCCCCC(c1ccccc1)C(OCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O3/c1-2-3-19-24(21-13-7-4-8-14-21)26(29-20-25(27)28,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,2-3,19-20H2,1H3,(H,27,28)
InChIKeyQSLAGNRADPJZQL-UHFFFAOYSA-N
XLogP6.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,2-triphenylhexoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2-triphenyloctoxyboronic acid
CID 70257152
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
(2-methyl-3-phenylheptan-2-yl) N-aminocarbamate
CID 174809384
2,2-dimethyl-3-phenylheptanal
CID 174996144
1,1,2-triphenyltetradecan-1-amine
CID 87776795
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
[(1S)-1-phenylpentyl] acetate
CID 12651064
1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
(2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid
CID 160854922
(1S)-1-phenylpentan-1-ol
CID 6992754
(2,2-dimethyl-1-phenylheptan-3-yl)benzene
CID 173376871

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-triphenylhexoxy)acetic acid?
The IUPAC name of 2-(1,1,2-triphenylhexoxy)acetic acid (CID 175075419) is 2-(1,1,2-triphenylhexoxy)acetic acid.
What is the SMILES notation for 2-(1,1,2-triphenylhexoxy)acetic acid?
The canonical SMILES for 2-(1,1,2-triphenylhexoxy)acetic acid is CCCCC(c1ccccc1)C(OCC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,1,2-triphenylhexoxy)acetic acid?
The InChIKey is QSLAGNRADPJZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-2-3-19-24(21-13-7-4-8-14-21)26(29-20-25(27)28,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,2-3,19-20H2,1H3,(H,27,28).
What are the key properties of 2-(1,1,2-triphenylhexoxy)acetic acid?
2-(1,1,2-triphenylhexoxy)acetic acid has a molecular weight of 388.51 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-triphenylhexoxy)acetic acid is sourced from PubChem (CID 175075419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).