methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate

C17H20O4 — CID 55512098

IUPACmethyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H20O4/c1-11(2)13-6-5-12(3)15(9-13)21-10-16-14(7-8-20-16)17(18)19-4/h5-9,11H,10H2,1-4H3
InChIKeyWLZGONCNHYGKBX-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.08
Rot. Bonds5

About methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate

methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate (PubChem CID 55512098) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
PubChem CID55512098
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Namemethyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H20O4/c1-11(2)13-6-5-12(3)15(9-13)21-10-16-14(7-8-20-16)17(18)19-4/h5-9,11H,10H2,1-4H3
InChIKeyWLZGONCNHYGKBX-UHFFFAOYSA-N
XLogP4.08
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
CID 63571060
2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
methyl 2-[[2-(methylaminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484655
methyl 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate
CID 31120473
methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 31125107
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan
CID 59709312
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63641040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate (CID 55512098) is methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate is COC(=O)c1ccoc1COc1cc(C(C)C)ccc1C.
What is the InChIKey of methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate?
The InChIKey is WLZGONCNHYGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-11(2)13-6-5-12(3)15(9-13)21-10-16-14(7-8-20-16)17(18)19-4/h5-9,11H,10H2,1-4H3.
What are the key properties of methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate?
methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate is sourced from PubChem (CID 55512098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).