(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid

C17H26O5 — CID 175254611

IUPAC(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid
SMILESCC(C)O[C@@H](CCCc1cccc(OC[C@H](C)O)c1)C(=O)O
InChIInChI=1S/C17H26O5/c1-12(2)22-16(17(19)20)9-5-7-14-6-4-8-15(10-14)21-11-13(3)18/h4,6,8,10,12-13,16,18H,5,7,9,11H2,1-3H3,(H,19,20)/t13-,16-/m0/s1
InChIKeyQWHKUBZKPMYQOE-BBRMVZONSA-N
MW310.39 g/mol
LogP2.65
Rot. Bonds10

About (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid

(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid (PubChem CID 175254611) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid.

Molecular Properties

Compound Name(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid
PubChem CID175254611
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid
SMILESCC(C)O[C@@H](CCCc1cccc(OC[C@H](C)O)c1)C(=O)O
InChIInChI=1S/C17H26O5/c1-12(2)22-16(17(19)20)9-5-7-14-6-4-8-15(10-14)21-11-13(3)18/h4,6,8,10,12-13,16,18H,5,7,9,11H2,1-3H3,(H,19,20)/t13-,16-/m0/s1
InChIKeyQWHKUBZKPMYQOE-BBRMVZONSA-N
XLogP2.65
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic 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

(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
3-[3-[3-(2,5-dimethylphenoxy)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 22926697
3-[3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 71000529
3-[3-[3-(3,4-dichlorophenoxy)-2-fluoropropoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 69005913
acetic acid;1-phenoxypropan-2-ol
CID 68567525
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
3-[3-(2-methylpropoxy)phenyl]-1-phenylpropan-1-ol
CID 82185180
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
CID 155707554
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
ethane;1-phenoxypropan-2-ol
CID 90926921

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid?
The IUPAC name of (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid (CID 175254611) is (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid.
What is the SMILES notation for (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid?
The canonical SMILES for (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid is CC(C)O[C@@H](CCCc1cccc(OC[C@H](C)O)c1)C(=O)O.
What is the InChIKey of (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid?
The InChIKey is QWHKUBZKPMYQOE-BBRMVZONSA-N. The full InChI is InChI=1S/C17H26O5/c1-12(2)22-16(17(19)20)9-5-7-14-6-4-8-15(10-14)21-11-13(3)18/h4,6,8,10,12-13,16,18H,5,7,9,11H2,1-3H3,(H,19,20)/t13-,16-/m0/s1.
What are the key properties of (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid?
(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid has a molecular weight of 310.39 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid is sourced from PubChem (CID 175254611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).