3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol

C24H34O5 — CID 91252951

IUPAC3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
SMILESCCCCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CO)cc2)cc1
InChIInChI=1S/C24H34O5/c1-4-5-6-20(26)16-28-22-11-7-18(8-12-22)24(2,3)19-9-13-23(14-10-19)29-17-21(27)15-25/h7-14,20-21,25-27H,4-6,15-17H2,1-3H3
InChIKeyIBNQQJKZLWQJJA-UHFFFAOYSA-N
MW402.53 g/mol
LogP3.67
Rot. Bonds12

About 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol

3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol (PubChem CID 91252951) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
PubChem CID91252951
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
SMILESCCCCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CO)cc2)cc1
InChIInChI=1S/C24H34O5/c1-4-5-6-20(26)16-28-22-11-7-18(8-12-22)24(2,3)19-9-13-23(14-10-19)29-17-21(27)15-25/h7-14,20-21,25-27H,4-6,15-17H2,1-3H3
InChIKeyIBNQQJKZLWQJJA-UHFFFAOYSA-N
XLogP3.67
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol 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

actinium;3-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
CID 59110852
1-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]propan-2-yl]phenoxy]butan-2-yloxidanium
CID 147647017
3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol;sulfane
CID 158124726
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206
3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol;hydrate;hydrochloride
CID 146158255
3-[4-[2-[4-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
CID 59087331
(2R)-3-[4-[2-[4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
CID 89411073
1-[4-[2-[4-(3-butoxypropoxy)phenyl]propan-2-yl]phenoxy]-3-chloropropan-2-ol
CID 90383890
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
4-hydroxy-5-[4-[2-[4-(2-hydroxy-4-oxopentoxy)phenyl]propan-2-yl]phenoxy]pentan-2-one
CID 22981470
4-[(2R)-2-hydroxyhexoxy]benzonitrile
CID 139777729

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol (CID 91252951) is 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol is CCCCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CO)cc2)cc1.
What is the InChIKey of 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol?
The InChIKey is IBNQQJKZLWQJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O5/c1-4-5-6-20(26)16-28-22-11-7-18(8-12-22)24(2,3)19-9-13-23(14-10-19)29-17-21(27)15-25/h7-14,20-21,25-27H,4-6,15-17H2,1-3H3.
What are the key properties of 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol?
3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol has a molecular weight of 402.53 g/mol, XLogP of 3.67, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(2-hydroxyhexoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 91252951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).