ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate

C19H24O3 — CID 10040465

IUPACethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate
SMILESCCOC(=O)c1cc(CC)c2c(OC)ccc(C(C)C)cc1-2
InChIInChI=1S/C19H24O3/c1-6-13-10-16(19(20)22-7-2)15-11-14(12(3)4)8-9-17(21-5)18(13)15/h8-12H,6-7H2,1-5H3
InChIKeyQJIBHJDBRREESH-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.66
Rot. Bonds5

About ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate

ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate (PubChem CID 10040465) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate
PubChem CID10040465
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Nameethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate
SMILESCCOC(=O)c1cc(CC)c2c(OC)ccc(C(C)C)cc1-2
InChIInChI=1S/C19H24O3/c1-6-13-10-16(19(20)22-7-2)15-11-14(12(3)4)8-9-17(21-5)18(13)15/h8-12H,6-7H2,1-5H3
InChIKeyQJIBHJDBRREESH-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
sodium;3-ethyl-4-methoxy-7-propan-2-ylazulene-1-sulfonic acid;hydride
CID 173410204
1-(2-methoxy-5-propan-2-ylphenyl)butane-1,2-dione
CID 94686155
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate
CID 130325605
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
2-ethyl-4-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)benzene
CID 123847181
ethyl (3S)-3-amino-2-fluoro-3-(2-methoxy-5-propan-2-ylphenyl)propanoate;hydrochloride
CID 171251861
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate
CID 141201124
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate?
The IUPAC name of ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate (CID 10040465) is ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate?
The canonical SMILES for ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate is CCOC(=O)c1cc(CC)c2c(OC)ccc(C(C)C)cc1-2.
What is the InChIKey of ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate?
The InChIKey is QJIBHJDBRREESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-6-13-10-16(19(20)22-7-2)15-11-14(12(3)4)8-9-17(21-5)18(13)15/h8-12H,6-7H2,1-5H3.
What are the key properties of ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate?
ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate is sourced from PubChem (CID 10040465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).