(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid

C15H22O3 — CID 124564856

IUPAC(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
SMILESCCCC[C@@H](Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C15H22O3/c1-4-5-6-14(15(16)17)18-13-9-7-12(8-10-13)11(2)3/h7-11,14H,4-6H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyYLNWOGGHFSRDHR-CQSZACIVSA-N
MW250.34 g/mol
LogP3.83
Rot. Bonds7

About (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid

(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid (PubChem CID 124564856) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
PubChem CID124564856
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
SMILESCCCC[C@@H](Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C15H22O3/c1-4-5-6-14(15(16)17)18-13-9-7-12(8-10-13)11(2)3/h7-11,14H,4-6H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyYLNWOGGHFSRDHR-CQSZACIVSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
(2R)-2-phenoxyhexanoic acid
CID 71401043
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
4-(1-carboxydecoxy)benzoic acid
CID 23304106
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
2-(4-hexanoylphenoxy)decanoic acid
CID 56969633
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369
(2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 100531315
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-[4-(hydroxymethyl)phenoxy]pentanoic acid
CID 83037900
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
6-amino-2-(4-ethoxyphenoxy)hexanoic acid
CID 112745829

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid?
The IUPAC name of (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid (CID 124564856) is (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid.
What is the SMILES notation for (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid?
The canonical SMILES for (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid is CCCC[C@@H](Oc1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid?
The InChIKey is YLNWOGGHFSRDHR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-5-6-14(15(16)17)18-13-9-7-12(8-10-13)11(2)3/h7-11,14H,4-6H2,1-3H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid?
(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-propan-2-ylphenoxy)hexanoic acid is sourced from PubChem (CID 124564856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).