2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid

C20H17NO3 — CID 143463718

IUPAC2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid
SMILES[H]/N=C(\COc1cccc(CC(=O)O)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c21-19(17-9-8-15-5-1-2-6-16(15)12-17)13-24-18-7-3-4-14(10-18)11-20(22)23/h1-10,12,21H,11,13H2,(H,22,23)/b21-19+
InChIKeyYBSFVWKYJNLVQQ-XUTLUUPISA-N
MW319.36 g/mol
LogP3.91
Rot. Bonds6

About 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid

2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid (PubChem CID 143463718) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid
PubChem CID143463718
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid
SMILES[H]/N=C(\COc1cccc(CC(=O)O)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c21-19(17-9-8-15-5-1-2-6-16(15)12-17)13-24-18-7-3-4-14(10-18)11-20(22)23/h1-10,12,21H,11,13H2,(H,22,23)/b21-19+
InChIKeyYBSFVWKYJNLVQQ-XUTLUUPISA-N
XLogP3.91
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
4-(2-imino-2-phenylethoxy)benzoic acid
CID 91226925
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
2-[6-(N-phenylmethoxycarbonylcarbamimidoyl)naphthalen-2-yl]oxyacetic acid
CID 139662112
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
2-[3-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398227
2-[3-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398190
naphthalene;2-phenylacetic acid
CID 174965541
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-(3-fluorooxyphenyl)acetic acid
CID 69494655

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid (CID 143463718) is 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid is [H]/N=C(\COc1cccc(CC(=O)O)c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid?
The InChIKey is YBSFVWKYJNLVQQ-XUTLUUPISA-N. The full InChI is InChI=1S/C20H17NO3/c21-19(17-9-8-15-5-1-2-6-16(15)12-17)13-24-18-7-3-4-14(10-18)11-20(22)23/h1-10,12,21H,11,13H2,(H,22,23)/b21-19+.
What are the key properties of 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid?
2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid has a molecular weight of 319.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-imino-2-naphthalen-2-ylethoxy)phenyl]acetic acid is sourced from PubChem (CID 143463718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).