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

C15H21FO2 — CID 114241589

IUPAC(4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
SMILESCc1cc(F)cc(C)c1C(O)C1CCOCC1C
InChIInChI=1S/C15H21FO2/c1-9-6-12(16)7-10(2)14(9)15(17)13-4-5-18-8-11(13)3/h6-7,11,13,15,17H,4-5,8H2,1-3H3
InChIKeyATVLMBKLIFGAIZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.15
Rot. Bonds2

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

(4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol (PubChem CID 114241589) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
PubChem CID114241589
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
SMILESCc1cc(F)cc(C)c1C(O)C1CCOCC1C
InChIInChI=1S/C15H21FO2/c1-9-6-12(16)7-10(2)14(9)15(17)13-4-5-18-8-11(13)3/h6-7,11,13,15,17H,4-5,8H2,1-3H3
InChIKeyATVLMBKLIFGAIZ-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

(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242074
(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242056
3-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]oxolane
CID 106879708
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
CID 106879508
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114242009
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
oxan-4-yl-(2,4,6-trimethylphenyl)methanol
CID 62905510
1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine
CID 114241898
2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114241906
(4-fluoro-2,6-dimethylphenyl)-(oxan-3-yl)methanone
CID 106876876

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol (CID 114241589) is (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol is Cc1cc(F)cc(C)c1C(O)C1CCOCC1C.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol?
The InChIKey is ATVLMBKLIFGAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-9-6-12(16)7-10(2)14(9)15(17)13-4-5-18-8-11(13)3/h6-7,11,13,15,17H,4-5,8H2,1-3H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol?
(4-fluoro-2,6-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 (4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol is sourced from PubChem (CID 114241589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).