2-(2-dodecylphenoxy)acetic acid

C20H32O3 — CID 572415

IUPAC2-(2-dodecylphenoxy)acetic acid
SMILESCCCCCCCCCCCCc1ccccc1OCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)23-17-20(21)22/h12-13,15-16H,2-11,14,17H2,1H3,(H,21,22)
InChIKeyDGGPZGGOFCLDAK-UHFFFAOYSA-N
MW320.47 g/mol
LogP5.61
Rot. Bonds14

About 2-(2-dodecylphenoxy)acetic acid

2-(2-dodecylphenoxy)acetic acid (PubChem CID 572415) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 2-(2-dodecylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-dodecylphenoxy)acetic acid
PubChem CID572415
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name2-(2-dodecylphenoxy)acetic acid
SMILESCCCCCCCCCCCCc1ccccc1OCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)23-17-20(21)22/h12-13,15-16H,2-11,14,17H2,1H3,(H,21,22)
InChIKeyDGGPZGGOFCLDAK-UHFFFAOYSA-N
XLogP5.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-pentylphenyl) hydrogen carbonate
CID 66866102
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
1-heptyl-2-octadecoxybenzene
CID 139667653
2-(4-chloro-2-tetradecylphenoxy)acetic acid;hydrochloride
CID 70523873
carboxy hydrogen carbonate;1,2-dioctylbenzene
CID 157253642
2-[2-[4-(4-methylcyclohexyl)butyl]phenoxy]acetic acid
CID 142228600
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-butyl-2-nonoxybenzene
CID 118255282
1-hexyl-2-(2,2,2-trichloroethoxy)benzene
CID 54232369

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecylphenoxy)acetic acid?
The IUPAC name of 2-(2-dodecylphenoxy)acetic acid (CID 572415) is 2-(2-dodecylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-dodecylphenoxy)acetic acid?
The canonical SMILES for 2-(2-dodecylphenoxy)acetic acid is CCCCCCCCCCCCc1ccccc1OCC(=O)O.
What is the InChIKey of 2-(2-dodecylphenoxy)acetic acid?
The InChIKey is DGGPZGGOFCLDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)23-17-20(21)22/h12-13,15-16H,2-11,14,17H2,1H3,(H,21,22).
What are the key properties of 2-(2-dodecylphenoxy)acetic acid?
2-(2-dodecylphenoxy)acetic acid has a molecular weight of 320.47 g/mol, XLogP of 5.61, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecylphenoxy)acetic acid is sourced from PubChem (CID 572415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).