3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one

C23H28O4 — CID 54513163

IUPAC3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2ccc(OC(C)C)cc2OC(C)C)cc1
InChIInChI=1S/C23H28O4/c1-6-25-20-11-7-18(8-12-20)22(24)14-10-19-9-13-21(26-16(2)3)15-23(19)27-17(4)5/h7-17H,6H2,1-5H3
InChIKeyYKOINNJLEFEIBV-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.56
Rot. Bonds9

About 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one

3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one (PubChem CID 54513163) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
PubChem CID54513163
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2ccc(OC(C)C)cc2OC(C)C)cc1
InChIInChI=1S/C23H28O4/c1-6-25-20-11-7-18(8-12-20)22(24)14-10-19-9-13-21(26-16(2)3)15-23(19)27-17(4)5/h7-17H,6H2,1-5H3
InChIKeyYKOINNJLEFEIBV-UHFFFAOYSA-N
XLogP5.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54041643
(E)-3-(3,5-diethoxy-2-methylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 67778408
3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enoic acid
CID 70019148
N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 6216700
(E)-3-[3,5-di(propan-2-yloxy)-2-prop-2-enylphenyl]-1-(4-propoxyphenyl)prop-2-en-1-one
CID 67778399
(E)-3-(4-ethoxy-2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177371055
3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602
1-(4-methoxyphenyl)-3-[5-methyl-2,4-di(propan-2-yloxy)phenyl]prop-2-en-1-one
CID 54156856
(E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 67778530
3-(2-tert-butyl-3,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54217160
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one (CID 54513163) is 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one is CCOc1ccc(C(=O)C=Cc2ccc(OC(C)C)cc2OC(C)C)cc1.
What is the InChIKey of 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is YKOINNJLEFEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-6-25-20-11-7-18(8-12-20)22(24)14-10-19-9-13-21(26-16(2)3)15-23(19)27-17(4)5/h7-17H,6H2,1-5H3.
What are the key properties of 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one?
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one has a molecular weight of 368.47 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 54513163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).