4-(2-ethenylphenoxy)butan-1-ol

C12H16O2 — CID 101029392

IUPAC4-(2-ethenylphenoxy)butan-1-ol
SMILESC=Cc1ccccc1OCCCCO
InChIInChI=1S/C12H16O2/c1-2-11-7-3-4-8-12(11)14-10-6-5-9-13/h2-4,7-8,13H,1,5-6,9-10H2
InChIKeyNSCRDNLQULZBEK-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.48
Rot. Bonds6

About 4-(2-ethenylphenoxy)butan-1-ol

4-(2-ethenylphenoxy)butan-1-ol (PubChem CID 101029392) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(2-ethenylphenoxy)butan-1-ol.

Molecular Properties

Compound Name4-(2-ethenylphenoxy)butan-1-ol
PubChem CID101029392
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-(2-ethenylphenoxy)butan-1-ol
SMILESC=Cc1ccccc1OCCCCO
InChIInChI=1S/C12H16O2/c1-2-11-7-3-4-8-12(11)14-10-6-5-9-13/h2-4,7-8,13H,1,5-6,9-10H2
InChIKeyNSCRDNLQULZBEK-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.48
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

2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
1-ethenyl-2-heptadecoxybenzene
CID 139672731
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
CID 19763871
CID 19763871
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
2-(2-ethenylphenoxy)ethyl hydrogen sulfate
CID 156674552
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenylphenoxy)butan-1-ol?
The IUPAC name of 4-(2-ethenylphenoxy)butan-1-ol (CID 101029392) is 4-(2-ethenylphenoxy)butan-1-ol.
What is the SMILES notation for 4-(2-ethenylphenoxy)butan-1-ol?
The canonical SMILES for 4-(2-ethenylphenoxy)butan-1-ol is C=Cc1ccccc1OCCCCO.
What is the InChIKey of 4-(2-ethenylphenoxy)butan-1-ol?
The InChIKey is NSCRDNLQULZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-11-7-3-4-8-12(11)14-10-6-5-9-13/h2-4,7-8,13H,1,5-6,9-10H2.
What are the key properties of 4-(2-ethenylphenoxy)butan-1-ol?
4-(2-ethenylphenoxy)butan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenylphenoxy)butan-1-ol is sourced from PubChem (CID 101029392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).