(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

C20H20O5 — CID 8763804

IUPAC(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)Oc2ccc(C(C)=O)cc2)c(OC)c1
InChIInChI=1S/C20H20O5/c1-4-5-15-6-11-18(19(12-15)23-3)24-13-20(22)25-17-9-7-16(8-10-17)14(2)21/h4-12H,13H2,1-3H3/b5-4+
InChIKeyNVVNXIIJKWRQTM-SNAWJCMRSA-N
MW340.38 g/mol
LogP3.92
Rot. Bonds7

About (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (PubChem CID 8763804) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
PubChem CID8763804
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)Oc2ccc(C(C)=O)cc2)c(OC)c1
InChIInChI=1S/C20H20O5/c1-4-5-15-6-11-18(19(12-15)23-3)24-13-20(22)25-17-9-7-16(8-10-17)14(2)21/h4-12H,13H2,1-3H3/b5-4+
InChIKeyNVVNXIIJKWRQTM-SNAWJCMRSA-N
XLogP3.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 18284889
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907753
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907939
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
(4-acetylphenyl) (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoate
CID 19221683
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 8856878
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
1-cyanoethyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 47004295
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907755
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The IUPAC name of (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (CID 8763804) is (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.
What is the SMILES notation for (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The canonical SMILES for (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is C/C=C/c1ccc(OCC(=O)Oc2ccc(C(C)=O)cc2)c(OC)c1.
What is the InChIKey of (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The InChIKey is NVVNXIIJKWRQTM-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H20O5/c1-4-5-15-6-11-18(19(12-15)23-3)24-13-20(22)25-17-9-7-16(8-10-17)14(2)21/h4-12H,13H2,1-3H3/b5-4+.
What are the key properties of (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate has a molecular weight of 340.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 8763804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).