6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol

C14H14O3 — CID 20682469

IUPAC6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol
SMILESCOc1cc2cc3c(c(C)c2cc1O)COC3
InChIInChI=1S/C14H14O3/c1-8-11-5-13(15)14(16-2)4-9(11)3-10-6-17-7-12(8)10/h3-5,15H,6-7H2,1-2H3
InChIKeyPIUVFVOQRQCZAR-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.89
Rot. Bonds1

About 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol

6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol (PubChem CID 20682469) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol.

Molecular Properties

Compound Name6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol
PubChem CID20682469
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol
SMILESCOc1cc2cc3c(c(C)c2cc1O)COC3
InChIInChI=1S/C14H14O3/c1-8-11-5-13(15)14(16-2)4-9(11)3-10-6-17-7-12(8)10/h3-5,15H,6-7H2,1-2H3
InChIKeyPIUVFVOQRQCZAR-UHFFFAOYSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol?
The IUPAC name of 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol (CID 20682469) is 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol.
What is the SMILES notation for 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol?
The canonical SMILES for 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol is COc1cc2cc3c(c(C)c2cc1O)COC3.
What is the InChIKey of 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol?
The InChIKey is PIUVFVOQRQCZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-11-5-13(15)14(16-2)4-9(11)3-10-6-17-7-12(8)10/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol?
6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol has a molecular weight of 230.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-methyl-1,3-dihydrobenzo[f][2]benzofuran-7-ol is sourced from PubChem (CID 20682469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).