ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol

C14H25FO — CID 144773818

IUPACethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
SMILESCC.CC.Cc1ccc(C(C)(C)O)c(F)c1
InChIInChI=1S/C10H13FO.2C2H6/c1-7-4-5-8(9(11)6-7)10(2,3)12;2*1-2/h4-6,12H,1-3H3;2*1-2H3
InChIKeyUVRNXQNASLRTOQ-UHFFFAOYSA-N
MW228.35 g/mol
LogP4.41
Rot. Bonds1

About ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol

ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol (PubChem CID 144773818) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
PubChem CID144773818
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Nameethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
SMILESCC.CC.Cc1ccc(C(C)(C)O)c(F)c1
InChIInChI=1S/C10H13FO.2C2H6/c1-7-4-5-8(9(11)6-7)10(2,3)12;2*1-2/h4-6,12H,1-3H3;2*1-2H3
InChIKeyUVRNXQNASLRTOQ-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695
2-(4-amino-2-fluorophenyl)propan-2-ol
CID 122627261
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol
CID 145318169
2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83698847
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol
CID 55120280
4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
CID 142361288
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate
CID 141413645
1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
CID 142848449

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol?
The IUPAC name of ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol (CID 144773818) is ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol.
What is the SMILES notation for ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol?
The canonical SMILES for ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol is CC.CC.Cc1ccc(C(C)(C)O)c(F)c1.
What is the InChIKey of ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol?
The InChIKey is UVRNXQNASLRTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.2C2H6/c1-7-4-5-8(9(11)6-7)10(2,3)12;2*1-2/h4-6,12H,1-3H3;2*1-2H3.
What are the key properties of ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol?
ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol has a molecular weight of 228.35 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 144773818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).