2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol

C87H102O14 — CID 167702494

About 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol

2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol (PubChem CID 167702494) has the molecular formula C87H102O14 and a molecular weight of 1371.76 g/mol. Its IUPAC name is 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol.

Molecular Properties

• Compound Name: 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol
• PubChem CID: 167702494
• Molecular Formula: C87H102O14
• Molecular Weight: 1371.76 g/mol
• Exact Mass: 1370.73
• IUPAC Name: 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol
• SMILES: CCOc1cc(O)ccc1C1COc2c(ccc3c2CCC(C)(C)O3)C1.CCOc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1.CCc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1.Cc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1
• InChI: InChI=1S/2C22H26O4.C22H26O3.C21H24O3/c1-4-24-16-6-7-17(19(23)12-16)15-11-14-5-8-20-18(21(14)25-13-15)9-10-22(2,3)26-20;1-4-24-20-12-16(23)6-7-17(20)15-11-14-5-8-19-18(21(14)25-13-15)9-10-22(2,3)26-19;1-4-14-5-7-17(19(23)11-14)16-12-15-6-8-20-18(21(15)24-13-16)9-10-22(2,3)25-20;1-13-4-6-16(18(22)10-13)15-11-14-5-7-19-17(20(14)23-12-15)8-9-21(2,3)24-19/h2*5-8,12,15,23H,4,9-11,13H2,1-3H3;5-8,11,16,23H,4,9-10,12-13H2,1-3H3;4-7,10,15,22H,8-9,11-12H2,1-3H3
• InChIKey: YPLBEYKDQXTYGM-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 173.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.76
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol?

The IUPAC name of 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol (CID 167702494) is 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol.

What is the SMILES notation for 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol?

The canonical SMILES for 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol is CCOc1cc(O)ccc1C1COc2c(ccc3c2CCC(C)(C)O3)C1.CCOc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1.CCc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1.Cc1ccc(C2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1.

What is the InChIKey of 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol?

The InChIKey is YPLBEYKDQXTYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26O4.C22H26O3.C21H24O3/c1-4-24-16-6-7-17(19(23)12-16)15-11-14-5-8-20-18(21(14)25-13-15)9-10-22(2,3)26-20;1-4-24-20-12-16(23)6-7-17(20)15-11-14-5-8-19-18(21(14)25-13-15)9-10-22(2,3)26-19;1-4-14-5-7-17(19(23)11-14)16-12-15-6-8-20-18(21(15)24-13-16)9-10-22(2,3)25-20;1-13-4-6-16(18(22)10-13)15-11-14-5-7-19-17(20(14)23-12-15)8-9-21(2,3)24-19/h2*5-8,12,15,23H,4,9-11,13H2,1-3H3;5-8,11,16,23H,4,9-10,12-13H2,1-3H3;4-7,10,15,22H,8-9,11-12H2,1-3H3.

What are the key properties of 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol?

2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol has a molecular weight of 1371.76 g/mol, XLogP of 18.53, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol is sourced from PubChem (CID 167702494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).