(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate

C16H18O4 — CID 78824631

IUPAC(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate
SMILESCOCc1ccc(C(=O)Oc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C16H18O4/c1-11(2)12-4-6-13(7-5-12)20-16(17)15-9-8-14(19-15)10-18-3/h4-9,11H,10H2,1-3H3
InChIKeyGMSOKZNGLGNSQE-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.77
Rot. Bonds5

About (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate

(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate (PubChem CID 78824631) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate
PubChem CID78824631
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate
SMILESCOCc1ccc(C(=O)Oc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C16H18O4/c1-11(2)12-4-6-13(7-5-12)20-16(17)15-9-8-14(19-15)10-18-3/h4-9,11H,10H2,1-3H3
InChIKeyGMSOKZNGLGNSQE-UHFFFAOYSA-N
XLogP3.77
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824404
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
2-O-(4-methoxyphenyl) 1-O-(4-propan-2-ylphenyl) benzene-1,2-dicarboxylate
CID 6426010
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
(2-methoxyphenyl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78824904

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate (CID 78824631) is (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate is COCc1ccc(C(=O)Oc2ccc(C(C)C)cc2)o1.
What is the InChIKey of (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate?
The InChIKey is GMSOKZNGLGNSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-11(2)12-4-6-13(7-5-12)20-16(17)15-9-8-14(19-15)10-18-3/h4-9,11H,10H2,1-3H3.
What are the key properties of (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate?
(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 78824631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).