(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol

C15H21FO2 — CID 114242074

IUPAC(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
SMILESCc1cc(C)c(C(O)C2CCOCC2C)c(F)c1
InChIInChI=1S/C15H21FO2/c1-9-6-10(2)14(13(16)7-9)15(17)12-4-5-18-8-11(12)3/h6-7,11-12,15,17H,4-5,8H2,1-3H3
InChIKeyDFHAFRUDDKCSFL-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.15
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol

(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol (PubChem CID 114242074) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
PubChem CID114242074
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
SMILESCc1cc(C)c(C(O)C2CCOCC2C)c(F)c1
InChIInChI=1S/C15H21FO2/c1-9-6-10(2)14(13(16)7-9)15(17)12-4-5-18-8-11(12)3/h6-7,11-12,15,17H,4-5,8H2,1-3H3
InChIKeyDFHAFRUDDKCSFL-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114241589
(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242056
(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
CID 106880808
[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106884319
oxan-4-yl-(2,4,6-trimethylphenyl)methanol
CID 62905510
(2-fluoro-4,6-dimethylphenyl)-(thiolan-2-yl)methanol
CID 106881138
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106884320
1,4-dioxan-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883666
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881075

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol (CID 114242074) is (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol is Cc1cc(C)c(C(O)C2CCOCC2C)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol?
The InChIKey is DFHAFRUDDKCSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-9-6-10(2)14(13(16)7-9)15(17)12-4-5-18-8-11(12)3/h6-7,11-12,15,17H,4-5,8H2,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol?
(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol has a molecular weight of 252.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol is sourced from PubChem (CID 114242074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).