[(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone

C25H26F2O3 — CID 175847730

IUPAC[(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone
SMILESCC(C)=CCCC1=CC[C@@H](C(=O)c2c(O)cccc2O)[C@H](c2cc(F)ccc2F)C1
InChIInChI=1S/C25H26F2O3/c1-15(2)5-3-6-16-9-11-18(25(30)24-22(28)7-4-8-23(24)29)19(13-16)20-14-17(26)10-12-21(20)27/h4-5,7-10,12,14,18-19,28-29H,3,6,11,13H2,1-2H3/t18-,19-/m1/s1
InChIKeyFALCUYNMBWGWAG-RTBURBONSA-N
MW412.48 g/mol
LogP6.43
Rot. Bonds6

About [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone

[(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone (PubChem CID 175847730) has the molecular formula C25H26F2O3 and a molecular weight of 412.48 g/mol. Its IUPAC name is [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone
PubChem CID175847730
Molecular FormulaC25H26F2O3
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name[(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone
SMILESCC(C)=CCCC1=CC[C@@H](C(=O)c2c(O)cccc2O)[C@H](c2cc(F)ccc2F)C1
InChIInChI=1S/C25H26F2O3/c1-15(2)5-3-6-16-9-11-18(25(30)24-22(28)7-4-8-23(24)29)19(13-16)20-14-17(26)10-12-21(20)27/h4-5,7-10,12,14,18-19,28-29H,3,6,11,13H2,1-2H3/t18-,19-/m1/s1
InChIKeyFALCUYNMBWGWAG-RTBURBONSA-N
XLogP6.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.48
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone (CID 175847730) is [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone is CC(C)=CCCC1=CC[C@@H](C(=O)c2c(O)cccc2O)[C@H](c2cc(F)ccc2F)C1.
What is the InChIKey of [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone?
The InChIKey is FALCUYNMBWGWAG-RTBURBONSA-N. The full InChI is InChI=1S/C25H26F2O3/c1-15(2)5-3-6-16-9-11-18(25(30)24-22(28)7-4-8-23(24)29)19(13-16)20-14-17(26)10-12-21(20)27/h4-5,7-10,12,14,18-19,28-29H,3,6,11,13H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone?
[(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone has a molecular weight of 412.48 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-6-(2,5-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 175847730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).