5-(4-methylphenyl)-2-propyloxane

C15H22O — CID 21247988

IUPAC5-(4-methylphenyl)-2-propyloxane
SMILESCCCC1CCC(c2ccc(C)cc2)CO1
InChIInChI=1S/C15H22O/c1-3-4-15-10-9-14(11-16-15)13-7-5-12(2)6-8-13/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeySDMHZJVLPRULKV-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.06
Rot. Bonds3

About 5-(4-methylphenyl)-2-propyloxane

5-(4-methylphenyl)-2-propyloxane (PubChem CID 21247988) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-propyloxane.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-propyloxane
PubChem CID21247988
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name5-(4-methylphenyl)-2-propyloxane
SMILESCCCC1CCC(c2ccc(C)cc2)CO1
InChIInChI=1S/C15H22O/c1-3-4-15-10-9-14(11-16-15)13-7-5-12(2)6-8-13/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeySDMHZJVLPRULKV-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-methylphenyl)-2-pentyloxane
CID 21248084
2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
CID 143210170
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
5-[4-(4-chlorophenyl)phenyl]-2-octyloxane
CID 21248010
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
5-(4-ethoxyphenyl)-2-hexyloxane
CID 21247855
ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol
CID 143210065
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-propyloxane?
The IUPAC name of 5-(4-methylphenyl)-2-propyloxane (CID 21247988) is 5-(4-methylphenyl)-2-propyloxane.
What is the SMILES notation for 5-(4-methylphenyl)-2-propyloxane?
The canonical SMILES for 5-(4-methylphenyl)-2-propyloxane is CCCC1CCC(c2ccc(C)cc2)CO1.
What is the InChIKey of 5-(4-methylphenyl)-2-propyloxane?
The InChIKey is SDMHZJVLPRULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-4-15-10-9-14(11-16-15)13-7-5-12(2)6-8-13/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-2-propyloxane?
5-(4-methylphenyl)-2-propyloxane has a molecular weight of 218.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-propyloxane is sourced from PubChem (CID 21247988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).