4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol

C15H21FO3 — CID 82806552

IUPAC4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2cccc(OC)c2F)CCO1
InChIInChI=1S/C15H21FO3/c1-3-5-11-10-15(17,8-9-19-11)12-6-4-7-13(18-2)14(12)16/h4,6-7,11,17H,3,5,8-10H2,1-2H3
InChIKeySXEZRPKAZJOPPA-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.00
Rot. Bonds4

About 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol

4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol (PubChem CID 82806552) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol
PubChem CID82806552
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2cccc(OC)c2F)CCO1
InChIInChI=1S/C15H21FO3/c1-3-5-11-10-15(17,8-9-19-11)12-6-4-7-13(18-2)14(12)16/h4,6-7,11,17H,3,5,8-10H2,1-2H3
InChIKeySXEZRPKAZJOPPA-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol
CID 64984799
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
CID 114723797
4-(3-methoxypyrazin-2-yl)-2-propyloxan-4-ol
CID 113421447
1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 82805715
2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 82806828
3-(2-fluoro-3-methoxyphenyl)azetidin-3-ol
CID 82008577
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
CID 114839078
1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 82805530
4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol
CID 114685011

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol (CID 82806552) is 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol is CCCC1CC(O)(c2cccc(OC)c2F)CCO1.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol?
The InChIKey is SXEZRPKAZJOPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-3-5-11-10-15(17,8-9-19-11)12-6-4-7-13(18-2)14(12)16/h4,6-7,11,17H,3,5,8-10H2,1-2H3.
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol?
4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol has a molecular weight of 268.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol is sourced from PubChem (CID 82806552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).