4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol

C15H20O3 — CID 142478081

IUPAC4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol
SMILESC=C(Oc1ccc(O)cc1)C(OCCC)=C(C)C
InChIInChI=1S/C15H20O3/c1-5-10-17-15(11(2)3)12(4)18-14-8-6-13(16)7-9-14/h6-9,16H,4-5,10H2,1-3H3
InChIKeyUFKWPQJRJDDUSA-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.01
Rot. Bonds6

About 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol

4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol (PubChem CID 142478081) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol.

Molecular Properties

Compound Name4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol
PubChem CID142478081
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol
SMILESC=C(Oc1ccc(O)cc1)C(OCCC)=C(C)C
InChIInChI=1S/C15H20O3/c1-5-10-17-15(11(2)3)12(4)18-14-8-6-13(16)7-9-14/h6-9,16H,4-5,10H2,1-3H3
InChIKeyUFKWPQJRJDDUSA-UHFFFAOYSA-N
XLogP4.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpent-2-en-3-yloxy)phenol
CID 123957504
(4-hydroxyphenyl) (4-propoxyphenyl) carbonate
CID 57144136
(4-hydroxyphenyl) 4-propoxybenzoate
CID 22925850
propyl 4-hydroxybenzoate
CID 66683808
butyl 2-phenoxyprop-2-enoate
CID 134306076
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
(4-hydroxyphenyl) 2-methylbutanoate
CID 14573373
(4-methylphenoxy)-propoxymethanethione
CID 14022571
4-octadecoxyphenol
CID 22179059
dibutyltin;bis((4-hydroxyphenyl) acetate)
CID 67791458

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol?
The IUPAC name of 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol (CID 142478081) is 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol.
What is the SMILES notation for 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol?
The canonical SMILES for 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol is C=C(Oc1ccc(O)cc1)C(OCCC)=C(C)C.
What is the InChIKey of 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol?
The InChIKey is UFKWPQJRJDDUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-10-17-15(11(2)3)12(4)18-14-8-6-13(16)7-9-14/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol?
4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol has a molecular weight of 248.32 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol is sourced from PubChem (CID 142478081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).