(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol

C10H11FO2 — CID 139349129

IUPAC(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol
SMILESCC1(C(O)c2ccc(F)cc2)CO1
InChIInChI=1S/C10H11FO2/c1-10(6-13-10)9(12)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3
InChIKeyNKDQVGQQWNDLET-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.65
Rot. Bonds2

About (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol

(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol (PubChem CID 139349129) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol
PubChem CID139349129
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol
SMILESCC1(C(O)c2ccc(F)cc2)CO1
InChIInChI=1S/C10H11FO2/c1-10(6-13-10)9(12)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3
InChIKeyNKDQVGQQWNDLET-UHFFFAOYSA-N
XLogP1.65
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethyl-1-adamantyl)-(4-fluorophenyl)methanol
CID 79998019
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol
CID 97035266
1-[(4-fluorophenyl)-hydroxymethyl]cyclobutane-1-carbonitrile
CID 79137499
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
(4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol
CID 11078271
(3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol
CID 175323145
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
CID 11244366
1-(4-fluorophenyl)-2-trimethylsilylethanol
CID 118997274
dimethylamino-(4-fluorophenyl)methanol
CID 116909515
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(4-fluorophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 991037
(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol
CID 163397111

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol?
The IUPAC name of (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol (CID 139349129) is (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol?
The canonical SMILES for (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol is CC1(C(O)c2ccc(F)cc2)CO1.
What is the InChIKey of (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol?
The InChIKey is NKDQVGQQWNDLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-10(6-13-10)9(12)7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3.
What are the key properties of (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol?
(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol has a molecular weight of 182.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-methyloxiran-2-yl)methanol is sourced from PubChem (CID 139349129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).