2-(6-methoxynaphthalen-2-yl)propyl octadecanoate

C32H50O3 — CID 13021179

IUPAC2-(6-methoxynaphthalen-2-yl)propyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C32H50O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(33)35-26-27(2)28-20-21-30-25-31(34-3)23-22-29(30)24-28/h20-25,27H,4-19,26H2,1-3H3
InChIKeyHDFMBUXYQPDTCP-UHFFFAOYSA-N
MW482.75 g/mol
LogP9.76
Rot. Bonds20

About 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate

2-(6-methoxynaphthalen-2-yl)propyl octadecanoate (PubChem CID 13021179) has the molecular formula C32H50O3 and a molecular weight of 482.75 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)propyl octadecanoate
PubChem CID13021179
Molecular FormulaC32H50O3
Molecular Weight482.75 g/mol
Exact Mass482.38
IUPAC Name2-(6-methoxynaphthalen-2-yl)propyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C32H50O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(33)35-26-27(2)28-20-21-30-25-31(34-3)23-22-29(30)24-28/h20-25,27H,4-19,26H2,1-3H3
InChIKeyHDFMBUXYQPDTCP-UHFFFAOYSA-N
XLogP9.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-hexadecanoyloxy-3-[2-(6-methoxynaphthalen-2-yl)propanoyloxy]propyl] hexadecanoate
CID 14747063
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
CID 141195522
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759
2-(4-methoxyphenyl)octan-3-one
CID 71426807
6-O-(4-methoxyphenyl) 1-O-octyl hexanedioate
CID 91712340
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-3-oxopropanoic acid
CID 139774449
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate (CID 13021179) is 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCC(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate?
The InChIKey is HDFMBUXYQPDTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(33)35-26-27(2)28-20-21-30-25-31(34-3)23-22-29(30)24-28/h20-25,27H,4-19,26H2,1-3H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate?
2-(6-methoxynaphthalen-2-yl)propyl octadecanoate has a molecular weight of 482.75 g/mol, XLogP of 9.76, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)propyl octadecanoate is sourced from PubChem (CID 13021179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).