methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate

C18H18O5 — CID 143566206

IUPACmethyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1cc(Oc2ccc(OC)cc2)cc2c1CC(C)O2
InChIInChI=1S/C18H18O5/c1-11-8-15-16(18(19)21-3)9-14(10-17(15)22-11)23-13-6-4-12(20-2)5-7-13/h4-7,9-11H,8H2,1-3H3
InChIKeyACUVDKYXGYRWPT-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.60
Rot. Bonds4

About methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate

methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate (PubChem CID 143566206) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate
PubChem CID143566206
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Namemethyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1cc(Oc2ccc(OC)cc2)cc2c1CC(C)O2
InChIInChI=1S/C18H18O5/c1-11-8-15-16(18(19)21-3)9-14(10-17(15)22-11)23-13-6-4-12(20-2)5-7-13/h4-7,9-11H,8H2,1-3H3
InChIKeyACUVDKYXGYRWPT-UHFFFAOYSA-N
XLogP3.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602
methyl (2S,3S)-3-(3,5-dimethoxyphenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-4-carboxylate
CID 135029014
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
(E)-3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one
CID 6288850
2-methyl-4-(4-methylsulfonylphenoxy)-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 67482420
[(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate
CID 6160056
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl (4bR,8aR,9R)-3-methoxy-9-(4-methoxyphenyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1-carboxylate
CID 59504340
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 6-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxylate
CID 625404
[(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] 2-bromobenzoate
CID 3930546

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate (CID 143566206) is methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate is COC(=O)c1cc(Oc2ccc(OC)cc2)cc2c1CC(C)O2.
What is the InChIKey of methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate?
The InChIKey is ACUVDKYXGYRWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-11-8-15-16(18(19)21-3)9-14(10-17(15)22-11)23-13-6-4-12(20-2)5-7-13/h4-7,9-11H,8H2,1-3H3.
What are the key properties of methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate?
methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate is sourced from PubChem (CID 143566206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).