2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol

C41H54O7 — CID 163101699

About 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol

2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol (PubChem CID 163101699) has the molecular formula C41H54O7 and a molecular weight of 658.88 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol.

Molecular Properties

• Compound Name: 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol
• PubChem CID: 163101699
• Molecular Formula: C41H54O7
• Molecular Weight: 658.88 g/mol
• Exact Mass: 658.39
• IUPAC Name: 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol
• SMILES: CCC(CCCO)CCC1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)CC(O)C(c1ccc(O)c(OC2CCCC2)c1)O3
• InChI: InChI=1S/C41H54O7/c1-5-25(9-8-16-42)12-13-26-18-28-20-34(44)29(17-24(2)3)19-31(28)40-38(46-4)23-36-32(39(26)40)22-35(45)41(48-36)27-14-15-33(43)37(21-27)47-30-10-6-7-11-30/h14-15,19-21,23-26,30,35,41-45H,5-13,16-18,22H2,1-4H3
• InChIKey: FSVCQBIJVHOVIT-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 108.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.88
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?

The IUPAC name of 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol (CID 163101699) is 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol.

What is the SMILES notation for 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?

The canonical SMILES for 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol is CCC(CCCO)CCC1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)CC(O)C(c1ccc(O)c(OC2CCCC2)c1)O3.

What is the InChIKey of 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?

The InChIKey is FSVCQBIJVHOVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54O7/c1-5-25(9-8-16-42)12-13-26-18-28-20-34(44)29(17-24(2)3)19-31(28)40-38(46-4)23-36-32(39(26)40)22-35(45)41(48-36)27-14-15-33(43)37(21-27)47-30-10-6-7-11-30/h14-15,19-21,23-26,30,35,41-45H,5-13,16-18,22H2,1-4H3.

What are the key properties of 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol?

2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol has a molecular weight of 658.88 g/mol, XLogP of 8.55, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-cyclopentyloxy-4-hydroxyphenyl)-5-(3-ethyl-6-hydroxyhexyl)-11-methoxy-9-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromene-3,8-diol is sourced from PubChem (CID 163101699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).