4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol

C14H19FO3 — CID 114240701

IUPAC4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol
SMILESCOc1ccc(CC2(O)CCOCC2C)cc1F
InChIInChI=1S/C14H19FO3/c1-10-9-18-6-5-14(10,16)8-11-3-4-13(17-2)12(15)7-11/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyDQSMWUNIJPUJSL-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.16
Rot. Bonds3

About 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol

4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol (PubChem CID 114240701) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol
PubChem CID114240701
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol
SMILESCOc1ccc(CC2(O)CCOCC2C)cc1F
InChIInChI=1S/C14H19FO3/c1-10-9-18-6-5-14(10,16)8-11-3-4-13(17-2)12(15)7-11/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyDQSMWUNIJPUJSL-UHFFFAOYSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663938
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167
3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyloxolane-3-carboxylic acid
CID 114533664
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
CID 83823334
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
3-[(3-fluoro-4-methoxyphenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955064
3-[(3-fluoro-4-methoxyphenyl)methyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171955063
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol (CID 114240701) is 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol is COc1ccc(CC2(O)CCOCC2C)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol?
The InChIKey is DQSMWUNIJPUJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-10-9-18-6-5-14(10,16)8-11-3-4-13(17-2)12(15)7-11/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol?
4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol has a molecular weight of 254.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol is sourced from PubChem (CID 114240701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).