2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol

C13H19FO3 — CID 82806354

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol
SMILESCOCC(O)(c1cccc(OC)c1F)C(C)C
InChIInChI=1S/C13H19FO3/c1-9(2)13(15,8-16-3)10-6-5-7-11(17-4)12(10)14/h5-7,9,15H,8H2,1-4H3
InChIKeyDCDGSIDDNIOCLN-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol

2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol (PubChem CID 82806354) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol
PubChem CID82806354
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol
SMILESCOCC(O)(c1cccc(OC)c1F)C(C)C
InChIInChI=1S/C13H19FO3/c1-9(2)13(15,8-16-3)10-6-5-7-11(17-4)12(10)14/h5-7,9,15H,8H2,1-4H3
InChIKeyDCDGSIDDNIOCLN-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
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CID 82805418
2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol
CID 81142684
1-amino-2-(2,6-dimethoxyphenyl)-3-methylbutan-2-ol
CID 116809832
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
CID 82808256
4-(ethylamino)-2-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 82811754
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylphenyl)ethanol
CID 82806005
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82805505
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 82805823
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol (CID 82806354) is 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol is COCC(O)(c1cccc(OC)c1F)C(C)C.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol?
The InChIKey is DCDGSIDDNIOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-9(2)13(15,8-16-3)10-6-5-7-11(17-4)12(10)14/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol?
2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol has a molecular weight of 242.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 82806354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).