(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol

C14H19FO2 — CID 114242056

IUPAC(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol
SMILESCc1cc(F)cc(C(O)C2CCOCC2C)c1
InChIInChI=1S/C14H19FO2/c1-9-5-11(7-12(15)6-9)14(16)13-3-4-17-8-10(13)2/h5-7,10,13-14,16H,3-4,8H2,1-2H3
InChIKeyHSWBOAFOHBNVEZ-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.84
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol

(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol (PubChem CID 114242056) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol
PubChem CID114242056
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol
SMILESCc1cc(F)cc(C(O)C2CCOCC2C)c1
InChIInChI=1S/C14H19FO2/c1-9-5-11(7-12(15)6-9)14(16)13-3-4-17-8-10(13)2/h5-7,10,13-14,16H,3-4,8H2,1-2H3
InChIKeyHSWBOAFOHBNVEZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.84
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
(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242074
(3-fluoro-5-methylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82837227
cycloheptyl-(3-fluoro-5-methylphenyl)methanol
CID 79703242
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine
CID 114241898
(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 105116100
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105016634
2-(5-fluoro-2-methylphenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114242009

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol?
The IUPAC name of (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol (CID 114242056) is (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol is Cc1cc(F)cc(C(O)C2CCOCC2C)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol?
The InChIKey is HSWBOAFOHBNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-9-5-11(7-12(15)6-9)14(16)13-3-4-17-8-10(13)2/h5-7,10,13-14,16H,3-4,8H2,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol?
(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol has a molecular weight of 238.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol is sourced from PubChem (CID 114242056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).