cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol

C14H17FO2 — CID 82805925

IUPACcyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)C2CC=CCC2)c1F
InChIInChI=1S/C14H17FO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-3,5,8-10,14,16H,4,6-7H2,1H3
InChIKeyQOXLHPOYGCPIQH-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.22
Rot. Bonds3

About cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol

cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82805925) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82805925
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Namecyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)C2CC=CCC2)c1F
InChIInChI=1S/C14H17FO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-3,5,8-10,14,16H,4,6-7H2,1H3
InChIKeyQOXLHPOYGCPIQH-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 115828514
cyclohex-3-en-1-yl(naphthalen-1-yl)methanol
CID 63900357
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 113342471
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
cyclohex-3-en-1-yl-(3,4-dimethylphenyl)methanol
CID 63900775
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol (CID 82805925) is cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)C2CC=CCC2)c1F.
What is the InChIKey of cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is QOXLHPOYGCPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h2-3,5,8-10,14,16H,4,6-7H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol?
cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 236.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82805925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).