1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate

C19H20O3 — CID 67841946

IUPAC1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate
SMILESC=CCC(=O)OC(C)Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H20O3/c1-3-4-19(21)22-14(2)13-15-5-7-16(8-6-15)17-9-11-18(20)12-10-17/h3,5-12,14,20H,1,4,13H2,2H3
InChIKeyHRRJRYZEIQTMPZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.11
Rot. Bonds6

About 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate

1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate (PubChem CID 67841946) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate
PubChem CID67841946
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate
SMILESC=CCC(=O)OC(C)Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H20O3/c1-3-4-19(21)22-14(2)13-15-5-7-16(8-6-15)17-9-11-18(20)12-10-17/h3,5-12,14,20H,1,4,13H2,2H3
InChIKeyHRRJRYZEIQTMPZ-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)propan-2-yl but-3-enoate
CID 67841944
4-(4-but-3-enoyloxypentyl)benzoic acid
CID 67841942
1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene
CID 19009371
phenyl 1-(4-phenylphenyl)propan-2-yl carbonate
CID 10892928
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;3-prop-2-enoxyprop-1-ene
CID 67555017
prop-2-enyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
CID 138991803
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
benzyl but-3-enoate
CID 11019385
prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate?
The IUPAC name of 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate (CID 67841946) is 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate is C=CCC(=O)OC(C)Cc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate?
The InChIKey is HRRJRYZEIQTMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-4-19(21)22-14(2)13-15-5-7-16(8-6-15)17-9-11-18(20)12-10-17/h3,5-12,14,20H,1,4,13H2,2H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate?
1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate has a molecular weight of 296.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)phenyl]propan-2-yl but-3-enoate is sourced from PubChem (CID 67841946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).