[5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone

C21H24O4 — CID 143920950

IUPAC[5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone
SMILESCCC=C(OC(C)C)c1cc(OC)c(O)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H24O4/c1-5-9-19(25-14(2)3)16-13-20(24-4)18(22)12-17(16)21(23)15-10-7-6-8-11-15/h6-14,22H,5H2,1-4H3
InChIKeyCCICPWYYNLAPFS-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.81
Rot. Bonds7

About [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone

[5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone (PubChem CID 143920950) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone
PubChem CID143920950
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name[5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone
SMILESCCC=C(OC(C)C)c1cc(OC)c(O)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H24O4/c1-5-9-19(25-14(2)3)16-13-20(24-4)18(22)12-17(16)21(23)15-10-7-6-8-11-15/h6-14,22H,5H2,1-4H3
InChIKeyCCICPWYYNLAPFS-UHFFFAOYSA-N
XLogP4.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 4-hydroxy-5-methoxy-2-(4-prop-1-en-2-ylbenzoyl)benzoate
CID 89441760
propan-2-yl 2-(4-cyanobenzoyl)-4-hydroxy-5-methoxybenzoate
CID 58345521
(2-benzoyl-4,5-dimethoxyphenyl) propanoate
CID 69459736
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
[5-hydroxy-4-methoxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(E)-1-methoxybut-1-enyl]phenyl]methanone
CID 143825316
[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone
CID 154112052
propan-2-yl 2-(4-aminobenzoyl)-5-methoxy-4-phenylmethoxybenzoate
CID 89441745
1-methoxybut-1-enylbenzene
CID 69305429
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 19988
[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)-[bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methylperoxy]methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone
CID 139830440
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 87073687

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone?
The IUPAC name of [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone (CID 143920950) is [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone.
What is the SMILES notation for [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone?
The canonical SMILES for [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone is CCC=C(OC(C)C)c1cc(OC)c(O)cc1C(=O)c1ccccc1.
What is the InChIKey of [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone?
The InChIKey is CCICPWYYNLAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-5-9-19(25-14(2)3)16-13-20(24-4)18(22)12-17(16)21(23)15-10-7-6-8-11-15/h6-14,22H,5H2,1-4H3.
What are the key properties of [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone?
[5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone has a molecular weight of 340.42 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-4-methoxy-2-(1-propan-2-yloxybut-1-enyl)phenyl]-phenylmethanone is sourced from PubChem (CID 143920950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).