(7-methoxynaphthalen-2-yl) hexanoate

C17H20O3 — CID 60592520

IUPAC(7-methoxynaphthalen-2-yl) hexanoate
SMILESCCCCCC(=O)Oc1ccc2ccc(OC)cc2c1
InChIInChI=1S/C17H20O3/c1-3-4-5-6-17(18)20-16-10-8-13-7-9-15(19-2)11-14(13)12-16/h7-12H,3-6H2,1-2H3
InChIKeyPWSSTSXKAHYYEK-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.33
Rot. Bonds6

About (7-methoxynaphthalen-2-yl) hexanoate

(7-methoxynaphthalen-2-yl) hexanoate (PubChem CID 60592520) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) hexanoate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) hexanoate
PubChem CID60592520
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(7-methoxynaphthalen-2-yl) hexanoate
SMILESCCCCCC(=O)Oc1ccc2ccc(OC)cc2c1
InChIInChI=1S/C17H20O3/c1-3-4-5-6-17(18)20-16-10-8-13-7-9-15(19-2)11-14(13)12-16/h7-12H,3-6H2,1-2H3
InChIKeyPWSSTSXKAHYYEK-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
7-O-naphthalen-2-yl 1-O-pentyl heptanedioate
CID 91718857
(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759
bis(4-methoxyphenyl) octanedioate
CID 89115465
6-O-(4-methoxyphenyl) 1-O-octyl hexanedioate
CID 91712340
(6-cyanonaphthalen-2-yl) decanoate
CID 597944
(6-cyanonaphthalen-2-yl) heptanoate
CID 22217405
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
(3-pentanoyloxyphenyl) hexanoate
CID 91704636
(3,4-dimethylphenyl) octanoate
CID 91711444
[3,5-di(octanoyloxy)phenyl] octanoate
CID 89239822
[7-(1H-indol-2-yl)naphthalen-2-yl] octanoate
CID 154196533

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) hexanoate?
The IUPAC name of (7-methoxynaphthalen-2-yl) hexanoate (CID 60592520) is (7-methoxynaphthalen-2-yl) hexanoate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) hexanoate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) hexanoate is CCCCCC(=O)Oc1ccc2ccc(OC)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) hexanoate?
The InChIKey is PWSSTSXKAHYYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-3-4-5-6-17(18)20-16-10-8-13-7-9-15(19-2)11-14(13)12-16/h7-12H,3-6H2,1-2H3.
What are the key properties of (7-methoxynaphthalen-2-yl) hexanoate?
(7-methoxynaphthalen-2-yl) hexanoate has a molecular weight of 272.34 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) hexanoate is sourced from PubChem (CID 60592520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).