(E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C22H24O5 — CID 68889303

About (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 68889303) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• PubChem CID: 68889303
• Molecular Formula: C22H24O5
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.16
• IUPAC Name: (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• SMILES: COc1cc(/C=C/C(=O)c2cc3c(cc2O)CCCC3)cc(OC)c1OC
• InChI: InChI=1S/C22H24O5/c1-25-20-10-14(11-21(26-2)22(20)27-3)8-9-18(23)17-12-15-6-4-5-7-16(15)13-19(17)24/h8-13,24H,4-7H2,1-3H3/b9-8+
• InChIKey: DVIMINIWGONSMA-CMDGGOBGSA-N
• XLogP: 4.19
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?

The IUPAC name of (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 68889303) is (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

What is the SMILES notation for (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?

The canonical SMILES for (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1cc(/C=C/C(=O)c2cc3c(cc2O)CCCC3)cc(OC)c1OC.

What is the InChIKey of (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?

The InChIKey is DVIMINIWGONSMA-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H24O5/c1-25-20-10-14(11-21(26-2)22(20)27-3)8-9-18(23)17-12-15-6-4-5-7-16(15)13-19(17)24/h8-13,24H,4-7H2,1-3H3/b9-8+.

What are the key properties of (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?

(E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 368.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 68889303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).