2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol

C24H34O3 — CID 155575289

About 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol

2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol (PubChem CID 155575289) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol.

Molecular Properties

• Compound Name: 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol
• PubChem CID: 155575289
• Molecular Formula: C24H34O3
• Molecular Weight: 370.53 g/mol
• Exact Mass: 370.25
• IUPAC Name: 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol
• SMILES: C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)c(C2CCO2)c1O
• InChI: InChI=1S/C24H34O3/c1-5-6-7-8-17-14-20(25)23(24(26)22(17)21-11-12-27-21)19-13-16(4)9-10-18(19)15(2)3/h13-14,18-19,21,25-26H,2,5-12H2,1,3-4H3
• InChIKey: MKRYHYJDXYLGBZ-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.53
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol?

The IUPAC name of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol (CID 155575289) is 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol.

What is the SMILES notation for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol?

The canonical SMILES for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol is C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)c(C2CCO2)c1O.

What is the InChIKey of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol?

The InChIKey is MKRYHYJDXYLGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-5-6-7-8-17-14-20(25)23(24(26)22(17)21-11-12-27-21)19-13-16(4)9-10-18(19)15(2)3/h13-14,18-19,21,25-26H,2,5-12H2,1,3-4H3.

What are the key properties of 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol?

2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol has a molecular weight of 370.53 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol is sourced from PubChem (CID 155575289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).