2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C22H25NO4 — CID 15290515

IUPAC2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESC/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OCc1ccccc1
InChIInChI=1S/C22H25NO4/c1-16(23-27-14-17-6-3-2-4-7-17)12-18-10-11-20-19(13-18)8-5-9-21(20)26-15-22(24)25/h2-9,18H,10-15H2,1H3,(H,24,25)/b23-16+
InChIKeyHVHOJZHORVNYEO-XQNSMLJCSA-N
MW367.45 g/mol
LogP4.24
Rot. Bonds8

About 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 15290515) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID15290515
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESC/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OCc1ccccc1
InChIInChI=1S/C22H25NO4/c1-16(23-27-14-17-6-3-2-4-7-17)12-18-10-11-20-19(13-18)8-5-9-21(20)26-15-22(24)25/h2-9,18H,10-15H2,1H3,(H,24,25)/b23-16+
InChIKeyHVHOJZHORVNYEO-XQNSMLJCSA-N
XLogP4.24
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 15290515) is 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is C/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OCc1ccccc1.
What is the InChIKey of 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is HVHOJZHORVNYEO-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H25NO4/c1-16(23-27-14-17-6-3-2-4-7-17)12-18-10-11-20-19(13-18)8-5-9-21(20)26-15-22(24)25/h2-9,18H,10-15H2,1H3,(H,24,25)/b23-16+.
What are the key properties of 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2E)-2-phenylmethoxyiminopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 15290515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).