5-pent-4-enoxybenzene-1,3-diol

C11H14O3 — CID 144789382

IUPAC5-pent-4-enoxybenzene-1,3-diol
SMILESC=CCCCOc1cc(O)cc(O)c1
InChIInChI=1S/C11H14O3/c1-2-3-4-5-14-11-7-9(12)6-10(13)8-11/h2,6-8,12-13H,1,3-5H2
InChIKeyOPIGVCIJNYPPKU-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.44
Rot. Bonds5

About 5-pent-4-enoxybenzene-1,3-diol

5-pent-4-enoxybenzene-1,3-diol (PubChem CID 144789382) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-pent-4-enoxybenzene-1,3-diol.

Molecular Properties

Compound Name5-pent-4-enoxybenzene-1,3-diol
PubChem CID144789382
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-pent-4-enoxybenzene-1,3-diol
SMILESC=CCCCOc1cc(O)cc(O)c1
InChIInChI=1S/C11H14O3/c1-2-3-4-5-14-11-7-9(12)6-10(13)8-11/h2,6-8,12-13H,1,3-5H2
InChIKeyOPIGVCIJNYPPKU-UHFFFAOYSA-N
XLogP2.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
3-pent-4-enoxy-5-(trifluoromethyl)benzoic acid
CID 66818587
2-bromo-4-pent-4-enoxypyridine
CID 145438078
11-(3,5-dihydroxyphenoxy)undecanoic acid
CID 42626374
1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 176899798
1-(bromomethyl)-3-pent-4-enoxybenzene
CID 86076126
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
2-hydroxy-5-undec-10-enoxybenzaldehyde
CID 21260819

Frequently Asked Questions

What is the IUPAC name of 5-pent-4-enoxybenzene-1,3-diol?
The IUPAC name of 5-pent-4-enoxybenzene-1,3-diol (CID 144789382) is 5-pent-4-enoxybenzene-1,3-diol.
What is the SMILES notation for 5-pent-4-enoxybenzene-1,3-diol?
The canonical SMILES for 5-pent-4-enoxybenzene-1,3-diol is C=CCCCOc1cc(O)cc(O)c1.
What is the InChIKey of 5-pent-4-enoxybenzene-1,3-diol?
The InChIKey is OPIGVCIJNYPPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-4-5-14-11-7-9(12)6-10(13)8-11/h2,6-8,12-13H,1,3-5H2.
What are the key properties of 5-pent-4-enoxybenzene-1,3-diol?
5-pent-4-enoxybenzene-1,3-diol has a molecular weight of 194.23 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-enoxybenzene-1,3-diol is sourced from PubChem (CID 144789382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).