(2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate

C19H24O5 — CID 23038323

IUPAC(2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate
SMILESCCCOc1c(OC)c(OC)c(OC(=O)CC)c2ccc(C)cc12
InChIInChI=1S/C19H24O5/c1-6-10-23-16-14-11-12(3)8-9-13(14)17(24-15(20)7-2)19(22-5)18(16)21-4/h8-9,11H,6-7,10H2,1-5H3
InChIKeyMVHZXQQPSOXDEN-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.27
Rot. Bonds7

About (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate

(2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate (PubChem CID 23038323) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate.

Molecular Properties

Compound Name(2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate
PubChem CID23038323
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name(2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate
SMILESCCCOc1c(OC)c(OC)c(OC(=O)CC)c2ccc(C)cc12
InChIInChI=1S/C19H24O5/c1-6-10-23-16-14-11-12(3)8-9-13(14)17(24-15(20)7-2)19(22-5)18(16)21-4/h8-9,11H,6-7,10H2,1-5H3
InChIKeyMVHZXQQPSOXDEN-UHFFFAOYSA-N
XLogP4.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethyl-10-propanoyloxyanthracen-9-yl) propanoate
CID 135239667
(6-benzyl-2,3-dimethoxy-4-pentoxynaphthalen-1-yl) propanoate
CID 57193117
(6-chloro-2,3-dimethoxy-4-propoxynaphthalen-1-yl) octanoate
CID 149158598
(6-chloro-2,3-dimethoxy-4-propanoyloxynaphthalen-1-yl) butanoate
CID 149158601
[4-(2,2-dimethylpropanoyloxy)-2,3-dimethoxy-6-methylnaphthalen-1-yl] pentanoate
CID 23038432
(4-hydroxy-3-methyl-2-propoxynaphthalen-1-yl) propanoate
CID 19873000
(10-butanoyloxy-3-methylanthracen-9-yl) butanoate
CID 135239818
(4-butoxy-2,3-dimethoxy-7-propan-2-ylnaphthalen-1-yl) octanoate
CID 23038514
(4-butoxy-2,3-dimethoxy-6,7-dimethylnaphthalen-1-yl) acetate
CID 149158265
(4-ethoxy-2,3,7-trimethoxynaphthalen-1-yl) pentanoate
CID 23038882
9,10-diheptoxy-2,6-dimethylanthracene
CID 123170872
(3-methyl-10-octanoyloxyanthracen-9-yl) octanoate
CID 135239614

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate?
The IUPAC name of (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate (CID 23038323) is (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate.
What is the SMILES notation for (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate?
The canonical SMILES for (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate is CCCOc1c(OC)c(OC)c(OC(=O)CC)c2ccc(C)cc12.
What is the InChIKey of (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate?
The InChIKey is MVHZXQQPSOXDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-6-10-23-16-14-11-12(3)8-9-13(14)17(24-15(20)7-2)19(22-5)18(16)21-4/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate?
(2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate has a molecular weight of 332.40 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxy-6-methyl-4-propoxynaphthalen-1-yl) propanoate is sourced from PubChem (CID 23038323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).