(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol

C10H13FO2 — CID 97294338

IUPAC(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
SMILESCCOc1cc([C@@H](C)O)ccc1F
InChIInChI=1S/C10H13FO2/c1-3-13-10-6-8(7(2)12)4-5-9(10)11/h4-7,12H,3H2,1-2H3/t7-/m1/s1
InChIKeyLEDABZZVTDIXLC-SSDOTTSWSA-N
MW184.21 g/mol
LogP2.28
Rot. Bonds3

About (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol

(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol (PubChem CID 97294338) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
PubChem CID97294338
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
SMILESCCOc1cc([C@@H](C)O)ccc1F
InChIInChI=1S/C10H13FO2/c1-3-13-10-6-8(7(2)12)4-5-9(10)11/h4-7,12H,3H2,1-2H3/t7-/m1/s1
InChIKeyLEDABZZVTDIXLC-SSDOTTSWSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
CID 143471834
1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol
CID 62336899
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
CID 137495372
4-chloro-4-(3-ethoxy-4-fluorophenyl)butanal
CID 87485174
CID 70317834
CID 70317834
(3-ethoxy-5-fluoro-4-propan-2-ylphenyl)methanediol
CID 170123183
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol?
The IUPAC name of (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol (CID 97294338) is (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol is CCOc1cc([C@@H](C)O)ccc1F.
What is the InChIKey of (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol?
The InChIKey is LEDABZZVTDIXLC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13FO2/c1-3-13-10-6-8(7(2)12)4-5-9(10)11/h4-7,12H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol?
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol has a molecular weight of 184.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-ethoxy-4-fluorophenyl)ethanol is sourced from PubChem (CID 97294338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).