(1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol

C16H19FO2 — CID 90984733

IUPAC(1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol
SMILESCC=Cc1cc(F)ccc1O[C@@H]1C=CCCC[C@H]1O
InChIInChI=1S/C16H19FO2/c1-2-6-12-11-13(17)9-10-15(12)19-16-8-5-3-4-7-14(16)18/h2,5-6,8-11,14,16,18H,3-4,7H2,1H3/t14-,16-/m1/s1
InChIKeyYQQKXRUQLQAOQV-GDBMZVCRSA-N
MW262.32 g/mol
LogP3.71
Rot. Bonds3

About (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol

(1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol (PubChem CID 90984733) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol
PubChem CID90984733
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name(1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol
SMILESCC=Cc1cc(F)ccc1O[C@@H]1C=CCCC[C@H]1O
InChIInChI=1S/C16H19FO2/c1-2-6-12-11-13(17)9-10-15(12)19-16-8-5-3-4-7-14(16)18/h2,5-6,8-11,14,16,18H,3-4,7H2,1H3/t14-,16-/m1/s1
InChIKeyYQQKXRUQLQAOQV-GDBMZVCRSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.71
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 (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol?
The IUPAC name of (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol (CID 90984733) is (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol is CC=Cc1cc(F)ccc1O[C@@H]1C=CCCC[C@H]1O.
What is the InChIKey of (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol?
The InChIKey is YQQKXRUQLQAOQV-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H19FO2/c1-2-6-12-11-13(17)9-10-15(12)19-16-8-5-3-4-7-14(16)18/h2,5-6,8-11,14,16,18H,3-4,7H2,1H3/t14-,16-/m1/s1.
What are the key properties of (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol?
(1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol has a molecular weight of 262.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol is sourced from PubChem (CID 90984733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).