1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol

C14H19FO2 — CID 113437948

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H19FO2/c1-4-5-8-14(2,16)10-11-6-7-13(17-3)12(15)9-11/h4,6-7,9,16H,1,5,8,10H2,2-3H3
InChIKeyGSQSXNNZLVNYBW-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.09
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol

1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol (PubChem CID 113437948) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
PubChem CID113437948
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H19FO2/c1-4-5-8-14(2,16)10-11-6-7-13(17-3)12(15)9-11/h4,6-7,9,16H,1,5,8,10H2,2-3H3
InChIKeyGSQSXNNZLVNYBW-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.09
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

2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
1-(3-chlorophenyl)-2-methylhex-5-en-2-ol
CID 104656378
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 65144733
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
CID 62620543
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol (CID 113437948) is 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol is C=CCCC(C)(O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol?
The InChIKey is GSQSXNNZLVNYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-4-5-8-14(2,16)10-11-6-7-13(17-3)12(15)9-11/h4,6-7,9,16H,1,5,8,10H2,2-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol?
1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol has a molecular weight of 238.30 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol is sourced from PubChem (CID 113437948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).