4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid

C15H16O4 — CID 114088665

IUPAC4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid
SMILESCOCC(C)Oc1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C15H16O4/c1-10(9-18-2)19-14-8-7-13(15(16)17)11-5-3-4-6-12(11)14/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyIPBYWKCABOHQDX-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.95
Rot. Bonds5

About 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid

4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid (PubChem CID 114088665) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid
PubChem CID114088665
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid
SMILESCOCC(C)Oc1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C15H16O4/c1-10(9-18-2)19-14-8-7-13(15(16)17)11-5-3-4-6-12(11)14/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyIPBYWKCABOHQDX-UHFFFAOYSA-N
XLogP2.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-3-methoxy-4-[(2R)-1-phenylmethoxypropan-2-yl]oxybenzoic acid
CID 174249647
5-[(2S)-1-methoxypropan-2-yl]oxy-2-phenylmethoxybenzoic acid
CID 67487058
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403
2-amino-3-(1-methoxypropan-2-yloxy)benzamide
CID 115547300
3-chloro-1-(4-propan-2-yloxynaphthalen-1-yl)propan-1-one
CID 82263210
6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid
CID 123770863
4-(4-chloronaphthalen-1-yl)oxypentanoic acid
CID 55047842
4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid
CID 11717699
3-amino-2-(4-methoxybutan-2-yloxy)benzoic acid
CID 107077232
4-(2-methylbut-3-yn-2-yloxy)naphthalene-1-carboxylic acid
CID 114088668

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid?
The IUPAC name of 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid (CID 114088665) is 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid?
The canonical SMILES for 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid is COCC(C)Oc1ccc(C(=O)O)c2ccccc12.
What is the InChIKey of 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid?
The InChIKey is IPBYWKCABOHQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10(9-18-2)19-14-8-7-13(15(16)17)11-5-3-4-6-12(11)14/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid?
4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid is sourced from PubChem (CID 114088665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).