5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol

C23H25FO2 — CID 166127006

IUPAC5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol
SMILESCOc1cccc(-c2cc(C3CC3)c(C3C=C(C)CCC3)c(O)c2F)c1
InChIInChI=1S/C23H25FO2/c1-14-5-3-7-17(11-14)21-19(15-9-10-15)13-20(22(24)23(21)25)16-6-4-8-18(12-16)26-2/h4,6,8,11-13,15,17,25H,3,5,7,9-10H2,1-2H3
InChIKeyFGHNKLSJLIVLJW-UHFFFAOYSA-N
MW352.45 g/mol
LogP6.30
Rot. Bonds4

About 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol

5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol (PubChem CID 166127006) has the molecular formula C23H25FO2 and a molecular weight of 352.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol
PubChem CID166127006
Molecular FormulaC23H25FO2
Molecular Weight352.45 g/mol
Exact Mass352.18
IUPAC Name5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol
SMILESCOc1cccc(-c2cc(C3CC3)c(C3C=C(C)CCC3)c(O)c2F)c1
InChIInChI=1S/C23H25FO2/c1-14-5-3-7-17(11-14)21-19(15-9-10-15)13-20(22(24)23(21)25)16-6-4-8-18(12-16)26-2/h4,6,8,11-13,15,17,25H,3,5,7,9-10H2,1-2H3
InChIKeyFGHNKLSJLIVLJW-UHFFFAOYSA-N
XLogP6.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol?
The IUPAC name of 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol (CID 166127006) is 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol?
The canonical SMILES for 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol is COc1cccc(-c2cc(C3CC3)c(C3C=C(C)CCC3)c(O)c2F)c1.
What is the InChIKey of 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol?
The InChIKey is FGHNKLSJLIVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FO2/c1-14-5-3-7-17(11-14)21-19(15-9-10-15)13-20(22(24)23(21)25)16-6-4-8-18(12-16)26-2/h4,6,8,11-13,15,17,25H,3,5,7,9-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol?
5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol has a molecular weight of 352.45 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-6-(3-methylcyclohex-2-en-1-yl)phenol is sourced from PubChem (CID 166127006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).