1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol

C14H21FO2 — CID 171366377

IUPAC1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCCCOc1ccc(F)c(C(O)C(C)(C)C)c1
InChIInChI=1S/C14H21FO2/c1-5-8-17-10-6-7-12(15)11(9-10)13(16)14(2,3)4/h6-7,9,13,16H,5,8H2,1-4H3
InChIKeyXGDDBNSSGDOZBA-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol

1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 171366377) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
PubChem CID171366377
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCCCOc1ccc(F)c(C(O)C(C)(C)C)c1
InChIInChI=1S/C14H21FO2/c1-5-8-17-10-6-7-12(15)11(9-10)13(16)14(2,3)4/h6-7,9,13,16H,5,8H2,1-4H3
InChIKeyXGDDBNSSGDOZBA-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-propoxyphenyl)butan-1-amine
CID 83988799
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CID 83988784
2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene
CID 170603618
2,2-dichloro-1-(5-ethoxy-2-fluorophenyl)ethanol
CID 164892826
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
1-bromo-2-(difluoromethyl)-4-propoxybenzene
CID 154815131
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol
CID 79730583
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
8-(2-fluoro-5-propoxyphenyl)-2-methyloctan-3-one
CID 157048856

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol (CID 171366377) is 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol is CCCOc1ccc(F)c(C(O)C(C)(C)C)c1.
What is the InChIKey of 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is XGDDBNSSGDOZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-5-8-17-10-6-7-12(15)11(9-10)13(16)14(2,3)4/h6-7,9,13,16H,5,8H2,1-4H3.
What are the key properties of 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol?
1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171366377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).