2-[5-(4-methylphenyl)pentoxy]ethanol

C14H22O2 — CID 57171652

IUPAC2-[5-(4-methylphenyl)pentoxy]ethanol
SMILESCc1ccc(CCCCCOCCO)cc1
InChIInChI=1S/C14H22O2/c1-13-6-8-14(9-7-13)5-3-2-4-11-16-12-10-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyDPIRXIMSDPYERI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.72
Rot. Bonds8

About 2-[5-(4-methylphenyl)pentoxy]ethanol

2-[5-(4-methylphenyl)pentoxy]ethanol (PubChem CID 57171652) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)pentoxy]ethanol.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)pentoxy]ethanol
PubChem CID57171652
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[5-(4-methylphenyl)pentoxy]ethanol
SMILESCc1ccc(CCCCCOCCO)cc1
InChIInChI=1S/C14H22O2/c1-13-6-8-14(9-7-13)5-3-2-4-11-16-12-10-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyDPIRXIMSDPYERI-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
2-[6-(4-chlorophenyl)hexoxy]ethanol
CID 54545244
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide
CID 134579947
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide
CID 134579946
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596
6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
CID 20580260
4-(5-propoxypentyl)phenol
CID 175182886
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)pentoxy]ethanol?
The IUPAC name of 2-[5-(4-methylphenyl)pentoxy]ethanol (CID 57171652) is 2-[5-(4-methylphenyl)pentoxy]ethanol.
What is the SMILES notation for 2-[5-(4-methylphenyl)pentoxy]ethanol?
The canonical SMILES for 2-[5-(4-methylphenyl)pentoxy]ethanol is Cc1ccc(CCCCCOCCO)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)pentoxy]ethanol?
The InChIKey is DPIRXIMSDPYERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-13-6-8-14(9-7-13)5-3-2-4-11-16-12-10-15/h6-9,15H,2-5,10-12H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)pentoxy]ethanol?
2-[5-(4-methylphenyl)pentoxy]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)pentoxy]ethanol is sourced from PubChem (CID 57171652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).