(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate

C14H18N4O4 — CID 9203407

IUPAC(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
SMILESCCCn1nnnc1COC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H18N4O4/c1-4-8-18-12(15-16-17-18)9-22-14(19)10-6-5-7-11(20-2)13(10)21-3/h5-7H,4,8-9H2,1-3H3
InChIKeyRREIOIPHRGFVHU-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.46
Rot. Bonds7

About (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate

(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate (PubChem CID 9203407) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
PubChem CID9203407
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
SMILESCCCn1nnnc1COC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H18N4O4/c1-4-8-18-12(15-16-17-18)9-22-14(19)10-6-5-7-11(20-2)13(10)21-3/h5-7H,4,8-9H2,1-3H3
InChIKeyRREIOIPHRGFVHU-UHFFFAOYSA-N
XLogP1.46
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271
(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027534
(1-propyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 9019943
(1-butyltetrazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55392997
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
CID 55472995
(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
CID 55402390
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate
CID 55397232
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate
CID 55400541
(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 8578938

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate (CID 9203407) is (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate is CCCn1nnnc1COC(=O)c1cccc(OC)c1OC.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate?
The InChIKey is RREIOIPHRGFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-4-8-18-12(15-16-17-18)9-22-14(19)10-6-5-7-11(20-2)13(10)21-3/h5-7H,4,8-9H2,1-3H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate?
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate has a molecular weight of 306.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate is sourced from PubChem (CID 9203407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).