2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol

C17H18O3 — CID 15160982

IUPAC2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc(CC2Oc3ccc(O)cc3C2C)cc1
InChIInChI=1S/C17H18O3/c1-11-15-10-13(18)5-8-16(15)20-17(11)9-12-3-6-14(19-2)7-4-12/h3-8,10-11,17-18H,9H2,1-2H3
InChIKeyBVOGXKSYAQGIFM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.51
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol

2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 15160982) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID15160982
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc(CC2Oc3ccc(O)cc3C2C)cc1
InChIInChI=1S/C17H18O3/c1-11-15-10-13(18)5-8-16(15)20-17(11)9-12-3-6-14(19-2)7-4-12/h3-8,10-11,17-18H,9H2,1-2H3
InChIKeyBVOGXKSYAQGIFM-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol (CID 15160982) is 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol is COc1ccc(CC2Oc3ccc(O)cc3C2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is BVOGXKSYAQGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-15-10-13(18)5-8-16(15)20-17(11)9-12-3-6-14(19-2)7-4-12/h3-8,10-11,17-18H,9H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol?
2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 270.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 15160982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).