4-(5-propoxypentyl)phenol

C14H22O2 — CID 175182886

IUPAC4-(5-propoxypentyl)phenol
SMILESCCCOCCCCCc1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-2-11-16-12-5-3-4-6-13-7-9-14(15)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyDGZQVKSCNZLCFM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.53
Rot. Bonds8

About 4-(5-propoxypentyl)phenol

4-(5-propoxypentyl)phenol (PubChem CID 175182886) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(5-propoxypentyl)phenol.

Molecular Properties

Compound Name4-(5-propoxypentyl)phenol
PubChem CID175182886
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(5-propoxypentyl)phenol
SMILESCCCOCCCCCc1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-2-11-16-12-5-3-4-6-13-7-9-14(15)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyDGZQVKSCNZLCFM-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

4-(2-pentoxyethyl)phenol
CID 67806399
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
methanolate;nickel(3+);4-octylphenol
CID 159960852
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(hexoxymethyl)phenol
CID 14816980
barium(2+);hydride;4-nonylphenol
CID 173156845
calcium;hydride;4-tetradecylphenol
CID 174582359

Frequently Asked Questions

What is the IUPAC name of 4-(5-propoxypentyl)phenol?
The IUPAC name of 4-(5-propoxypentyl)phenol (CID 175182886) is 4-(5-propoxypentyl)phenol.
What is the SMILES notation for 4-(5-propoxypentyl)phenol?
The canonical SMILES for 4-(5-propoxypentyl)phenol is CCCOCCCCCc1ccc(O)cc1.
What is the InChIKey of 4-(5-propoxypentyl)phenol?
The InChIKey is DGZQVKSCNZLCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-11-16-12-5-3-4-6-13-7-9-14(15)10-8-13/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of 4-(5-propoxypentyl)phenol?
4-(5-propoxypentyl)phenol has a molecular weight of 222.33 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propoxypentyl)phenol is sourced from PubChem (CID 175182886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).