1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride

C14H16F2O — CID 174481204

IUPAC1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
SMILESCc1ccc(Oc2ccc(C)cc2)cc1.F.F
InChIInChI=1S/C14H14O.2FH/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;;/h3-10H,1-2H3;2*1H
InChIKeyNJHUDSFWYDYEFP-UHFFFAOYSA-N
MW238.28 g/mol
LogP4.40
Rot. Bonds2

About 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride

1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride (PubChem CID 174481204) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
PubChem CID174481204
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
SMILESCc1ccc(Oc2ccc(C)cc2)cc1.F.F
InChIInChI=1S/C14H14O.2FH/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;;/h3-10H,1-2H3;2*1H
InChIKeyNJHUDSFWYDYEFP-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-methylphenoxy)phenyl]azanium
CID 142074955
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 157430055
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride?
The IUPAC name of 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride (CID 174481204) is 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride.
What is the SMILES notation for 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride?
The canonical SMILES for 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride is Cc1ccc(Oc2ccc(C)cc2)cc1.F.F.
What is the InChIKey of 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride?
The InChIKey is NJHUDSFWYDYEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.2FH/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;;/h3-10H,1-2H3;2*1H.
What are the key properties of 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride?
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride has a molecular weight of 238.28 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride is sourced from PubChem (CID 174481204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).