1-fluoro-1-(3-methoxyphenyl)ethanol

C9H11FO2 — CID 174577353

IUPAC1-fluoro-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)F)c1
InChIInChI=1S/C9H11FO2/c1-9(10,11)7-4-3-5-8(6-7)12-2/h3-6,11H,1-2H3
InChIKeyNXMIZDRDCDPELD-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.83
Rot. Bonds2

About 1-fluoro-1-(3-methoxyphenyl)ethanol

1-fluoro-1-(3-methoxyphenyl)ethanol (PubChem CID 174577353) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-fluoro-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-fluoro-1-(3-methoxyphenyl)ethanol
PubChem CID174577353
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name1-fluoro-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)F)c1
InChIInChI=1S/C9H11FO2/c1-9(10,11)7-4-3-5-8(6-7)12-2/h3-6,11H,1-2H3
InChIKeyNXMIZDRDCDPELD-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol
CID 79190775
2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
CID 175177821

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-fluoro-1-(3-methoxyphenyl)ethanol (CID 174577353) is 1-fluoro-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-fluoro-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-fluoro-1-(3-methoxyphenyl)ethanol is COc1cccc(C(C)(O)F)c1.
What is the InChIKey of 1-fluoro-1-(3-methoxyphenyl)ethanol?
The InChIKey is NXMIZDRDCDPELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-9(10,11)7-4-3-5-8(6-7)12-2/h3-6,11H,1-2H3.
What are the key properties of 1-fluoro-1-(3-methoxyphenyl)ethanol?
1-fluoro-1-(3-methoxyphenyl)ethanol has a molecular weight of 170.18 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 174577353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).