(4-hexoxy-3-methoxynaphthalen-1-yl) acetate

C19H24O4 — CID 19873098

IUPAC(4-hexoxy-3-methoxynaphthalen-1-yl) acetate
SMILESCCCCCCOc1c(OC)cc(OC(C)=O)c2ccccc12
InChIInChI=1S/C19H24O4/c1-4-5-6-9-12-22-19-16-11-8-7-10-15(16)17(23-14(2)20)13-18(19)21-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyNEJIKFFZQFMNHT-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.73
Rot. Bonds8

About (4-hexoxy-3-methoxynaphthalen-1-yl) acetate

(4-hexoxy-3-methoxynaphthalen-1-yl) acetate (PubChem CID 19873098) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4-hexoxy-3-methoxynaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(4-hexoxy-3-methoxynaphthalen-1-yl) acetate
PubChem CID19873098
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(4-hexoxy-3-methoxynaphthalen-1-yl) acetate
SMILESCCCCCCOc1c(OC)cc(OC(C)=O)c2ccccc12
InChIInChI=1S/C19H24O4/c1-4-5-6-9-12-22-19-16-11-8-7-10-15(16)17(23-14(2)20)13-18(19)21-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyNEJIKFFZQFMNHT-UHFFFAOYSA-N
XLogP4.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(3-methoxy-4-propoxynaphthalen-1-yl) methyl carbonate
CID 19872769
(3-methoxy-4-nonanoyloxynaphthalen-1-yl) nonanoate
CID 153323087
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
9,10-dioctoxyanthracene
CID 21304201
3,4-dihexoxynaphthalen-1-ol
CID 19873008
(10-acetyloxy-1,5-dioctoxyanthracen-9-yl) acetate
CID 101463698
(10-acetyloxy-1,5-didecoxyanthracen-9-yl) acetate
CID 101463699
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
2,3-dimethyl-9,10-di(nonoxy)anthracene
CID 175900449
(7-hexoxynaphthalen-1-yl) acetate
CID 150519564
(4-acetyloxy-2,5-dibutoxyphenyl) acetate
CID 101485815

Frequently Asked Questions

What is the IUPAC name of (4-hexoxy-3-methoxynaphthalen-1-yl) acetate?
The IUPAC name of (4-hexoxy-3-methoxynaphthalen-1-yl) acetate (CID 19873098) is (4-hexoxy-3-methoxynaphthalen-1-yl) acetate.
What is the SMILES notation for (4-hexoxy-3-methoxynaphthalen-1-yl) acetate?
The canonical SMILES for (4-hexoxy-3-methoxynaphthalen-1-yl) acetate is CCCCCCOc1c(OC)cc(OC(C)=O)c2ccccc12.
What is the InChIKey of (4-hexoxy-3-methoxynaphthalen-1-yl) acetate?
The InChIKey is NEJIKFFZQFMNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-4-5-6-9-12-22-19-16-11-8-7-10-15(16)17(23-14(2)20)13-18(19)21-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3.
What are the key properties of (4-hexoxy-3-methoxynaphthalen-1-yl) acetate?
(4-hexoxy-3-methoxynaphthalen-1-yl) acetate has a molecular weight of 316.40 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexoxy-3-methoxynaphthalen-1-yl) acetate is sourced from PubChem (CID 19873098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).