5-(4-methylphenyl)-2-pentyloxane

C17H26O — CID 21248084

IUPAC5-(4-methylphenyl)-2-pentyloxane
SMILESCCCCCC1CCC(c2ccc(C)cc2)CO1
InChIInChI=1S/C17H26O/c1-3-4-5-6-17-12-11-16(13-18-17)15-9-7-14(2)8-10-15/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyHUFDLGNNAVCWMK-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.84
Rot. Bonds5

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

5-(4-methylphenyl)-2-pentyloxane (PubChem CID 21248084) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-pentyloxane.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-pentyloxane
PubChem CID21248084
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name5-(4-methylphenyl)-2-pentyloxane
SMILESCCCCCC1CCC(c2ccc(C)cc2)CO1
InChIInChI=1S/C17H26O/c1-3-4-5-6-17-12-11-16(13-18-17)15-9-7-14(2)8-10-15/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyHUFDLGNNAVCWMK-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)-2-propyloxane
CID 21247988
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
5-[4-(4-chlorophenyl)phenyl]-2-octyloxane
CID 21248010
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
5-(4-ethoxyphenyl)-2-hexyloxane
CID 21247855
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
CID 143210170
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
4-[(3R,5S)-5-hexyloxolan-3-yl]phenol
CID 139607830
5-[4-[(2,3-difluoro-4-methoxycyclohexa-1,3-dien-1-yl)oxymethyl]phenyl]-2-pentyloxane;ethane
CID 143889490

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-pentyloxane?
The IUPAC name of 5-(4-methylphenyl)-2-pentyloxane (CID 21248084) is 5-(4-methylphenyl)-2-pentyloxane.
What is the SMILES notation for 5-(4-methylphenyl)-2-pentyloxane?
The canonical SMILES for 5-(4-methylphenyl)-2-pentyloxane is CCCCCC1CCC(c2ccc(C)cc2)CO1.
What is the InChIKey of 5-(4-methylphenyl)-2-pentyloxane?
The InChIKey is HUFDLGNNAVCWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-4-5-6-17-12-11-16(13-18-17)15-9-7-14(2)8-10-15/h7-10,16-17H,3-6,11-13H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-2-pentyloxane?
5-(4-methylphenyl)-2-pentyloxane has a molecular weight of 246.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-pentyloxane is sourced from PubChem (CID 21248084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).