2-methyl-5-[(4-methylphenyl)methyl]oxane

C14H20O — CID 123844175

IUPAC2-methyl-5-[(4-methylphenyl)methyl]oxane
SMILESCc1ccc(CC2CCC(C)OC2)cc1
InChIInChI=1S/C14H20O/c1-11-3-6-13(7-4-11)9-14-8-5-12(2)15-10-14/h3-4,6-7,12,14H,5,8-10H2,1-2H3
InChIKeyVGGMPBKLVDXOLP-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.35
Rot. Bonds2

About 2-methyl-5-[(4-methylphenyl)methyl]oxane

2-methyl-5-[(4-methylphenyl)methyl]oxane (PubChem CID 123844175) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)methyl]oxane.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)methyl]oxane
PubChem CID123844175
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-methyl-5-[(4-methylphenyl)methyl]oxane
SMILESCc1ccc(CC2CCC(C)OC2)cc1
InChIInChI=1S/C14H20O/c1-11-3-6-13(7-4-11)9-14-8-5-12(2)15-10-14/h3-4,6-7,12,14H,5,8-10H2,1-2H3
InChIKeyVGGMPBKLVDXOLP-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5S)-5-benzyl-2-methyloxane
CID 15352618
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane
CID 54361723
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
5-[(4-methylphenyl)methyl]cycloheptene
CID 142080732
2-[(4-methylphenyl)methyl]-1,3-dioxan-5-amine
CID 175746889
1-[(4-methoxycyclohexyl)methyl]-4-methylbenzene
CID 59957371
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
2-methyl-4-[(4-methylphenyl)methyl]piperidine
CID 106777755
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene
CID 158604020
2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
CID 143210127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylphenyl)methyl]oxane?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)methyl]oxane (CID 123844175) is 2-methyl-5-[(4-methylphenyl)methyl]oxane.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)methyl]oxane?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)methyl]oxane is Cc1ccc(CC2CCC(C)OC2)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)methyl]oxane?
The InChIKey is VGGMPBKLVDXOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11-3-6-13(7-4-11)9-14-8-5-12(2)15-10-14/h3-4,6-7,12,14H,5,8-10H2,1-2H3.
What are the key properties of 2-methyl-5-[(4-methylphenyl)methyl]oxane?
2-methyl-5-[(4-methylphenyl)methyl]oxane has a molecular weight of 204.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)methyl]oxane is sourced from PubChem (CID 123844175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).