7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol

C21H20O4 — CID 122396881

IUPAC7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol
SMILESCOc1cccc2c1[C@H](c1ccc3cc(C)cc(O)c3c1)O[C@@H]2OC
InChIInChI=1S/C21H20O4/c1-12-9-13-7-8-14(11-16(13)17(22)10-12)20-19-15(21(24-3)25-20)5-4-6-18(19)23-2/h4-11,20-22H,1-3H3/t20-,21-/m0/s1
InChIKeyIONCSXLAVBFOHB-SFTDATJTSA-N
MW336.39 g/mol
LogP4.63
Rot. Bonds3

About 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol

7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol (PubChem CID 122396881) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol.

Molecular Properties

Compound Name7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol
PubChem CID122396881
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol
SMILESCOc1cccc2c1[C@H](c1ccc3cc(C)cc(O)c3c1)O[C@@H]2OC
InChIInChI=1S/C21H20O4/c1-12-9-13-7-8-14(11-16(13)17(22)10-12)20-19-15(21(24-3)25-20)5-4-6-18(19)23-2/h4-11,20-22H,1-3H3/t20-,21-/m0/s1
InChIKeyIONCSXLAVBFOHB-SFTDATJTSA-N
XLogP4.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol with MolForge

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Related Compounds

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dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
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5-methoxy-8-methylanthracen-1-ol
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Frequently Asked Questions

What is the IUPAC name of 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol?
The IUPAC name of 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol (CID 122396881) is 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol.
What is the SMILES notation for 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol?
The canonical SMILES for 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol is COc1cccc2c1[C@H](c1ccc3cc(C)cc(O)c3c1)O[C@@H]2OC.
What is the InChIKey of 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol?
The InChIKey is IONCSXLAVBFOHB-SFTDATJTSA-N. The full InChI is InChI=1S/C21H20O4/c1-12-9-13-7-8-14(11-16(13)17(22)10-12)20-19-15(21(24-3)25-20)5-4-6-18(19)23-2/h4-11,20-22H,1-3H3/t20-,21-/m0/s1.
What are the key properties of 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol?
7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol has a molecular weight of 336.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol is sourced from PubChem (CID 122396881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).