1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C14H18F4O3 — CID 103474152

IUPAC1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCOc1ccc(C)cc1CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C14H18F4O3/c1-9-3-4-12(20-2)10(5-9)6-11(19)7-21-8-14(17,18)13(15)16/h3-5,11,13,19H,6-8H2,1-2H3
InChIKeyZRYQMAUDTCKDNY-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.82
Rot. Bonds8

About 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 103474152) has the molecular formula C14H18F4O3 and a molecular weight of 310.29 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID103474152
Molecular FormulaC14H18F4O3
Molecular Weight310.29 g/mol
Exact Mass310.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCOc1ccc(C)cc1CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C14H18F4O3/c1-9-3-4-12(20-2)10(5-9)6-11(19)7-21-8-14(17,18)13(15)16/h3-5,11,13,19H,6-8H2,1-2H3
InChIKeyZRYQMAUDTCKDNY-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473973
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473738
1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475184
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
1-(2-chloro-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473957
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 103474152) is 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is COc1ccc(C)cc1CC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is ZRYQMAUDTCKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O3/c1-9-3-4-12(20-2)10(5-9)6-11(19)7-21-8-14(17,18)13(15)16/h3-5,11,13,19H,6-8H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 310.29 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 103474152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).