4-(4-ethylphenyl)-4-methyloxane

C14H20O — CID 130287454

IUPAC4-(4-ethylphenyl)-4-methyloxane
SMILESCCc1ccc(C2(C)CCOCC2)cc1
InChIInChI=1S/C14H20O/c1-3-12-4-6-13(7-5-12)14(2)8-10-15-11-9-14/h4-7H,3,8-11H2,1-2H3
InChIKeySXTUMRXDLJLARU-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.32
Rot. Bonds2

About 4-(4-ethylphenyl)-4-methyloxane

4-(4-ethylphenyl)-4-methyloxane (PubChem CID 130287454) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-methyloxane.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-methyloxane
PubChem CID130287454
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-(4-ethylphenyl)-4-methyloxane
SMILESCCc1ccc(C2(C)CCOCC2)cc1
InChIInChI=1S/C14H20O/c1-3-12-4-6-13(7-5-12)14(2)8-10-15-11-9-14/h4-7H,3,8-11H2,1-2H3
InChIKeySXTUMRXDLJLARU-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethylphenyl)oxan-4-ol
CID 63222829
1-(1,4-dimethylcyclohexyl)-4-ethylbenzene
CID 71423616
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
4-[(4-ethylphenoxy)methyl]oxan-4-ol
CID 126703265
2-(4-ethylphenyl)-2-methylaziridine
CID 82467898
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-(4-ethylphenyl)-4-methylpyrrolidin-2-one
CID 66106295
4-[(4-ethylphenyl)methyl]-4-oxidomorpholin-4-ium
CID 89101363
4-(4-ethylphenyl)morpholine
CID 20576442
3-(4-methyloxan-4-yl)benzenethiol
CID 58926524
1-ethyl-4-[1-[[1-(4-ethylphenyl)cyclopropyl]methoxymethyl]cyclopropyl]benzene
CID 56620627
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-methyloxane?
The IUPAC name of 4-(4-ethylphenyl)-4-methyloxane (CID 130287454) is 4-(4-ethylphenyl)-4-methyloxane.
What is the SMILES notation for 4-(4-ethylphenyl)-4-methyloxane?
The canonical SMILES for 4-(4-ethylphenyl)-4-methyloxane is CCc1ccc(C2(C)CCOCC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-methyloxane?
The InChIKey is SXTUMRXDLJLARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-12-4-6-13(7-5-12)14(2)8-10-15-11-9-14/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-4-methyloxane?
4-(4-ethylphenyl)-4-methyloxane has a molecular weight of 204.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-methyloxane is sourced from PubChem (CID 130287454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).