3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol

C17H21FO — CID 134237509

IUPAC3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol
SMILESC=C(C)C1CCC(C)=CC1c1c(O)cc(C)cc1F
InChIInChI=1S/C17H21FO/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,19H,1,5-6H2,2-4H3
InChIKeyZNJORGPDHOVIHR-UHFFFAOYSA-N
MW260.35 g/mol
LogP4.86
Rot. Bonds2

About 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol

3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol (PubChem CID 134237509) has the molecular formula C17H21FO and a molecular weight of 260.35 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol
PubChem CID134237509
Molecular FormulaC17H21FO
Molecular Weight260.35 g/mol
Exact Mass260.16
IUPAC Name3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol
SMILESC=C(C)C1CCC(C)=CC1c1c(O)cc(C)cc1F
InChIInChI=1S/C17H21FO/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,19H,1,5-6H2,2-4H3
InChIKeyZNJORGPDHOVIHR-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol?
The IUPAC name of 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol (CID 134237509) is 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol.
What is the SMILES notation for 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol?
The canonical SMILES for 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol is C=C(C)C1CCC(C)=CC1c1c(O)cc(C)cc1F.
What is the InChIKey of 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol?
The InChIKey is ZNJORGPDHOVIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,19H,1,5-6H2,2-4H3.
What are the key properties of 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol?
3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol has a molecular weight of 260.35 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol is sourced from PubChem (CID 134237509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).