2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol

C25H32O3 — CID 70410841

About 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol

2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol (PubChem CID 70410841) has the molecular formula C25H32O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol.

Molecular Properties

• Compound Name: 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol
• PubChem CID: 70410841
• Molecular Formula: C25H32O3
• Molecular Weight: 380.53 g/mol
• Exact Mass: 380.24
• IUPAC Name: 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol
• SMILES: COc1cc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(O)c1OC
• InChI: InChI=1S/C25H32O3/c1-16(12-17-13-21(26)23(28-7)22(14-17)27-6)18-8-9-19-20(15-18)25(4,5)11-10-24(19,2)3/h8-9,12-15,26H,10-11H2,1-7H3/b16-12+
• InChIKey: DNHIHCLZJITVJQ-FOWTUZBSSA-N
• XLogP: 6.32
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.53
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol?

The IUPAC name of 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol (CID 70410841) is 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol.

What is the SMILES notation for 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol?

The canonical SMILES for 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol is COc1cc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(O)c1OC.

What is the InChIKey of 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol?

The InChIKey is DNHIHCLZJITVJQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C25H32O3/c1-16(12-17-13-21(26)23(28-7)22(14-17)27-6)18-8-9-19-20(15-18)25(4,5)11-10-24(19,2)3/h8-9,12-15,26H,10-11H2,1-7H3/b16-12+.

What are the key properties of 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol?

2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol has a molecular weight of 380.53 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethoxy-5-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol is sourced from PubChem (CID 70410841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).