(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate

C22H26O4 — CID 142294967

IUPAC(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccc(OCC(=O)Oc2cc(C(C)C)ccc2C)c(OC)c1
InChIInChI=1S/C22H26O4/c1-6-7-17-9-11-19(21(12-17)24-5)25-14-22(23)26-20-13-18(15(2)3)10-8-16(20)4/h6,8-13,15H,1,7,14H2,2-5H3
InChIKeyVXVDHOKUEQFVEF-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.84
Rot. Bonds8

About (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate

(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate (PubChem CID 142294967) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
PubChem CID142294967
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccc(OCC(=O)Oc2cc(C(C)C)ccc2C)c(OC)c1
InChIInChI=1S/C22H26O4/c1-6-7-17-9-11-19(21(12-17)24-5)25-14-22(23)26-20-13-18(15(2)3)10-8-16(20)4/h6,8-13,15H,1,7,14H2,2-5H3
InChIKeyVXVDHOKUEQFVEF-UHFFFAOYSA-N
XLogP4.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
CID 162516171
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 16545149
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804098
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804136
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The IUPAC name of (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate (CID 142294967) is (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate.
What is the SMILES notation for (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The canonical SMILES for (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate is C=CCc1ccc(OCC(=O)Oc2cc(C(C)C)ccc2C)c(OC)c1.
What is the InChIKey of (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
The InChIKey is VXVDHOKUEQFVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-6-7-17-9-11-19(21(12-17)24-5)25-14-22(23)26-20-13-18(15(2)3)10-8-16(20)4/h6,8-13,15H,1,7,14H2,2-5H3.
What are the key properties of (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate?
(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate has a molecular weight of 354.45 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate is sourced from PubChem (CID 142294967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).