2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran

C28H22O2 — CID 102050938

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran
SMILESCOc1ccc2cc(Cc3occ(-c4ccccc4)c3-c3ccccc3)ccc2c1
InChIInChI=1S/C28H22O2/c1-29-25-15-14-23-16-20(12-13-24(23)18-25)17-27-28(22-10-6-3-7-11-22)26(19-30-27)21-8-4-2-5-9-21/h2-16,18-19H,17H2,1H3
InChIKeyXIESCDKFPABLON-UHFFFAOYSA-N
MW390.48 g/mol
LogP7.37
Rot. Bonds5

About 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran

2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran (PubChem CID 102050938) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran
PubChem CID102050938
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran
SMILESCOc1ccc2cc(Cc3occ(-c4ccccc4)c3-c3ccccc3)ccc2c1
InChIInChI=1S/C28H22O2/c1-29-25-15-14-23-16-20(12-13-24(23)18-25)17-27-28(22-10-6-3-7-11-22)26(19-30-27)21-8-4-2-5-9-21/h2-16,18-19H,17H2,1H3
InChIKeyXIESCDKFPABLON-UHFFFAOYSA-N
XLogP7.37
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran (CID 102050938) is 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran is COc1ccc2cc(Cc3occ(-c4ccccc4)c3-c3ccccc3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran?
The InChIKey is XIESCDKFPABLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-29-25-15-14-23-16-20(12-13-24(23)18-25)17-27-28(22-10-6-3-7-11-22)26(19-30-27)21-8-4-2-5-9-21/h2-16,18-19H,17H2,1H3.
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran?
2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran has a molecular weight of 390.48 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl]-3,4-diphenylfuran is sourced from PubChem (CID 102050938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).