1-[4-(3-propoxypropyl)phenyl]ethenol

C14H20O2 — CID 142097113

IUPAC1-[4-(3-propoxypropyl)phenyl]ethenol
SMILESC=C(O)c1ccc(CCCOCCC)cc1
InChIInChI=1S/C14H20O2/c1-3-10-16-11-4-5-13-6-8-14(9-7-13)12(2)15/h6-9,15H,2-5,10-11H2,1H3
InChIKeyYGXFHIIMDNXHOE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.57
Rot. Bonds7

About 1-[4-(3-propoxypropyl)phenyl]ethenol

1-[4-(3-propoxypropyl)phenyl]ethenol (PubChem CID 142097113) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[4-(3-propoxypropyl)phenyl]ethenol.

Molecular Properties

Compound Name1-[4-(3-propoxypropyl)phenyl]ethenol
PubChem CID142097113
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[4-(3-propoxypropyl)phenyl]ethenol
SMILESC=C(O)c1ccc(CCCOCCC)cc1
InChIInChI=1S/C14H20O2/c1-3-10-16-11-4-5-13-6-8-14(9-7-13)12(2)15/h6-9,15H,2-5,10-11H2,1H3
InChIKeyYGXFHIIMDNXHOE-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-propoxypentyl)phenol
CID 175182886
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-methyl-1-[4-(3-propoxypropyl)phenyl]pentan-3-one
CID 155189144
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
3-decoxypropylbenzene
CID 150065328
2-hexoxyethyl 4-butylbenzoate
CID 140608518
2-octoxyethyl 4-butylbenzoate
CID 140608616
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
1-[4-(4-butylphenyl)phenyl]ethenamine
CID 166698710
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
2-(4-butylphenyl)prop-2-en-1-ol
CID 58735370

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propoxypropyl)phenyl]ethenol?
The IUPAC name of 1-[4-(3-propoxypropyl)phenyl]ethenol (CID 142097113) is 1-[4-(3-propoxypropyl)phenyl]ethenol.
What is the SMILES notation for 1-[4-(3-propoxypropyl)phenyl]ethenol?
The canonical SMILES for 1-[4-(3-propoxypropyl)phenyl]ethenol is C=C(O)c1ccc(CCCOCCC)cc1.
What is the InChIKey of 1-[4-(3-propoxypropyl)phenyl]ethenol?
The InChIKey is YGXFHIIMDNXHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-10-16-11-4-5-13-6-8-14(9-7-13)12(2)15/h6-9,15H,2-5,10-11H2,1H3.
What are the key properties of 1-[4-(3-propoxypropyl)phenyl]ethenol?
1-[4-(3-propoxypropyl)phenyl]ethenol has a molecular weight of 220.31 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propoxypropyl)phenyl]ethenol is sourced from PubChem (CID 142097113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).