2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid

C20H26O5 — CID 57045000

IUPAC2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid
SMILESCOCCCCCCCCOc1ccc2c(C(=O)O)c(O)ccc2c1
InChIInChI=1S/C20H26O5/c1-24-12-6-4-2-3-5-7-13-25-16-9-10-17-15(14-16)8-11-18(21)19(17)20(22)23/h8-11,14,21H,2-7,12-13H2,1H3,(H,22,23)
InChIKeyUNFNYMRONORBEN-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.61
Rot. Bonds11

About 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid

2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid (PubChem CID 57045000) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid
PubChem CID57045000
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid
SMILESCOCCCCCCCCOc1ccc2c(C(=O)O)c(O)ccc2c1
InChIInChI=1S/C20H26O5/c1-24-12-6-4-2-3-5-7-13-25-16-9-10-17-15(14-16)8-11-18(21)19(17)20(22)23/h8-11,14,21H,2-7,12-13H2,1H3,(H,22,23)
InChIKeyUNFNYMRONORBEN-UHFFFAOYSA-N
XLogP4.61
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
1-chloro-6-octoxynaphthalene-2-carboxylic acid
CID 57123224
2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
CID 68837450
2,6-dihydroxynaphthalene-1-carboxylic acid
CID 10149075
1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
CID 13085663
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
2-ethyl-5-(4-methoxybutoxy)phenol
CID 135193551
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid
CID 59283816
7-butoxy-3-hydroxynaphthalene-2-carboxylic acid
CID 20559604
6-pentoxynaphthalen-1-ol
CID 22144289

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid?
The IUPAC name of 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid (CID 57045000) is 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid is COCCCCCCCCOc1ccc2c(C(=O)O)c(O)ccc2c1.
What is the InChIKey of 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid?
The InChIKey is UNFNYMRONORBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-24-12-6-4-2-3-5-7-13-25-16-9-10-17-15(14-16)8-11-18(21)19(17)20(22)23/h8-11,14,21H,2-7,12-13H2,1H3,(H,22,23).
What are the key properties of 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid?
2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid has a molecular weight of 346.42 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid is sourced from PubChem (CID 57045000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).