2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid

C26H34O5 — CID 10296070

IUPAC2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid
SMILESCCCc1cc(C(=O)CC)cc(CCC)c1OC(C(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H34O5/c1-6-9-19-15-21(23(27)8-3)16-20(10-7-2)24(19)31-25(26(28)29)18-11-13-22(14-12-18)30-17(4)5/h11-17,25H,6-10H2,1-5H3,(H,28,29)
InChIKeyHQECXVSQKONBDF-UHFFFAOYSA-N
MW426.55 g/mol
LogP6.18
Rot. Bonds12

About 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid

2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid (PubChem CID 10296070) has the molecular formula C26H34O5 and a molecular weight of 426.55 g/mol. Its IUPAC name is 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid
PubChem CID10296070
Molecular FormulaC26H34O5
Molecular Weight426.55 g/mol
Exact Mass426.24
IUPAC Name2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid
SMILESCCCc1cc(C(=O)CC)cc(CCC)c1OC(C(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H34O5/c1-6-9-19-15-21(23(27)8-3)16-20(10-7-2)24(19)31-25(26(28)29)18-11-13-22(14-12-18)30-17(4)5/h11-17,25H,6-10H2,1-5H3,(H,28,29)
InChIKeyHQECXVSQKONBDF-UHFFFAOYSA-N
XLogP6.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.55
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[carboxy(phenyl)methoxy]-3,5-dipropylbenzoic acid
CID 19080432
2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-ylphenyl)ethanimidamide
CID 142162801
2-(4-butanoylphenoxy)-2-(4-chlorophenyl)acetic acid
CID 154115811
4-[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethoxy]-3,5-dipropylbenzoic acid
CID 19080428
1-methoxy-1-(4-propan-2-yloxyphenyl)pentan-2-one
CID 83226792
1-(4-propan-2-yloxyphenyl)-1-propoxybutan-2-one
CID 83225636
2-[3-fluoro-4-(3-oxopropyl)-2,6-dipropylphenoxy]-2-(4-propan-2-ylphenyl)acetic acid
CID 87954125
1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one
CID 11310872
2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465
(2S)-2-[(3-ethyl-2-oxo-5,7-dipropyl-1,3-benzoxazol-6-yl)oxy]-2-(4-propan-2-ylphenyl)acetic acid
CID 11178156
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid (CID 10296070) is 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid is CCCc1cc(C(=O)CC)cc(CCC)c1OC(C(=O)O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid?
The InChIKey is HQECXVSQKONBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O5/c1-6-9-19-15-21(23(27)8-3)16-20(10-7-2)24(19)31-25(26(28)29)18-11-13-22(14-12-18)30-17(4)5/h11-17,25H,6-10H2,1-5H3,(H,28,29).
What are the key properties of 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid?
2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid has a molecular weight of 426.55 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 10296070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).