(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol

C12H15FO3 — CID 70910103

IUPAC(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
SMILESOC[C@@H](O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C12H15FO3/c13-10-4-3-9(11(15)6-14)5-12(10)16-7-8-1-2-8/h3-5,8,11,14-15H,1-2,6-7H2/t11-/m1/s1
InChIKeyFJPPKVHVOWIBMY-LLVKDONJSA-N
MW226.25 g/mol
LogP1.64
Rot. Bonds5

About (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol

(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol (PubChem CID 70910103) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
PubChem CID70910103
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
SMILESOC[C@@H](O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C12H15FO3/c13-10-4-3-9(11(15)6-14)5-12(10)16-7-8-1-2-8/h3-5,8,11,14-15H,1-2,6-7H2/t11-/m1/s1
InChIKeyFJPPKVHVOWIBMY-LLVKDONJSA-N
XLogP1.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol
CID 172583870
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
CID 131315534
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
CID 142360430
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 115810701
2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
CID 134559559
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
CID 123665502
4-(1-butylsulfonylbutan-2-yl)-2-(cyclopropylmethoxy)-1-fluorobenzene
CID 58218476
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol (CID 70910103) is (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol is OC[C@@H](O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol?
The InChIKey is FJPPKVHVOWIBMY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15FO3/c13-10-4-3-9(11(15)6-14)5-12(10)16-7-8-1-2-8/h3-5,8,11,14-15H,1-2,6-7H2/t11-/m1/s1.
What are the key properties of (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol?
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol has a molecular weight of 226.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol is sourced from PubChem (CID 70910103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).