[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate

C21H24O3 — CID 134200295

IUPAC[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(C)ccc1CCc1ccc(CO)cc1
InChIInChI=1S/C21H24O3/c1-15(2)21(23)24-14-20-12-16(3)4-10-19(20)11-9-17-5-7-18(13-22)8-6-17/h4-8,10,12,22H,1,9,11,13-14H2,2-3H3
InChIKeyUCPDXZGJAVQWBO-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.89
Rot. Bonds7

About [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate

[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate (PubChem CID 134200295) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
PubChem CID134200295
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(C)ccc1CCc1ccc(CO)cc1
InChIInChI=1S/C21H24O3/c1-15(2)21(23)24-14-20-12-16(3)4-10-19(20)11-9-17-5-7-18(13-22)8-6-17/h4-8,10,12,22H,1,9,11,13-14H2,2-3H3
InChIKeyUCPDXZGJAVQWBO-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate
CID 145121937
[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193028
[5-[4-(hydroxymethyl)-2-methylphenyl]-2-propylphenyl]methyl 2-methylprop-2-enoate
CID 134193246
2-[2-[4-(hydroxymethyl)phenyl]-5-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 134200446
[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]diazenyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
CID 135993585
[5-(hydroxymethyl)-2-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193104
[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 139641232
[5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122358
[5-[2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]-2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122040
(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
CID 67777483
[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 134200555
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate (CID 134200295) is [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(C)ccc1CCc1ccc(CO)cc1.
What is the InChIKey of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate?
The InChIKey is UCPDXZGJAVQWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-15(2)21(23)24-14-20-12-16(3)4-10-19(20)11-9-17-5-7-18(13-22)8-6-17/h4-8,10,12,22H,1,9,11,13-14H2,2-3H3.
What are the key properties of [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate?
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate has a molecular weight of 324.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 134200295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).