[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate

C22H24O3 — CID 170064878

IUPAC[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)Oc1ccc(C(C)(C)c2ccc(OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C22H24O3/c1-15(2)21(23)25-20-13-9-18(10-14-20)22(5,6)17-7-11-19(12-8-17)24-16(3)4/h7-14H,1,3H2,2,4-6H3
InChIKeyHQWNIQYVQSCVCQ-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.41
Rot. Bonds6

About [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate

[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate (PubChem CID 170064878) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
PubChem CID170064878
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)Oc1ccc(C(C)(C)c2ccc(OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C22H24O3/c1-15(2)21(23)25-20-13-9-18(10-14-20)22(5,6)17-7-11-19(12-8-17)24-16(3)4/h7-14H,1,3H2,2,4-6H3
InChIKeyHQWNIQYVQSCVCQ-UHFFFAOYSA-N
XLogP5.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 68830864
[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate;[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 70129293
[4-[2-[4-[2-[3,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenyl] 2-methylprop-2-enoate
CID 59739180
[4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
CID 100944603
[4-[4-[4-[2-methoxy-2-[4-(2-methylprop-2-enoyloxy)phenyl]propanoyl]phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 159160095
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
1-O-[4-[2-methyl-3-(2-methylprop-2-enoyloxy)butan-2-yl]phenyl] 4-O-[4-(2-methylprop-2-enoyloxy)phenyl] benzene-1,4-dicarboxylate
CID 155628390
[4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate
CID 58205422
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate (CID 170064878) is [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate is C=C(C)Oc1ccc(C(C)(C)c2ccc(OC(=O)C(=C)C)cc2)cc1.
What is the InChIKey of [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate?
The InChIKey is HQWNIQYVQSCVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-15(2)21(23)25-20-13-9-18(10-14-20)22(5,6)17-7-11-19(12-8-17)24-16(3)4/h7-14H,1,3H2,2,4-6H3.
What are the key properties of [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate?
[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate has a molecular weight of 336.43 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 170064878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).