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

C24H22O3 — CID 145122374

IUPAC[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(-c2ccc(C)cc2)ccc1-c1ccc(CO)cc1
InChIInChI=1S/C24H22O3/c1-16(2)24(26)27-23-14-21(19-8-4-17(3)5-9-19)12-13-22(23)20-10-6-18(15-25)7-11-20/h4-14,25H,1,15H2,2-3H3
InChIKeyRDMPEAIHIBTTHJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.30
Rot. Bonds5

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

[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 145122374) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
PubChem CID145122374
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(-c2ccc(C)cc2)ccc1-c1ccc(CO)cc1
InChIInChI=1S/C24H22O3/c1-16(2)24(26)27-23-14-21(19-8-4-17(3)5-9-19)12-13-22(23)20-10-6-18(15-25)7-11-20/h4-14,25H,1,15H2,2-3H3
InChIKeyRDMPEAIHIBTTHJ-UHFFFAOYSA-N
XLogP5.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(hydroxymethyl)phenyl]-5-phenylphenyl] 2-methylprop-2-enoate
CID 134198380
2-[2-[4-(hydroxymethyl)phenyl]-5-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 134200446
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493
[2-(4-methoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)phenyl] 2-methylprop-2-enoate
CID 134244888
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
[2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] (E)-2-methylbut-2-enoate
CID 118907377
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141316940
[4-[3-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2,2-dimethylpropanoate
CID 135266625
[2-[4-(2-methylprop-2-enoyloxy)phenyl]-5-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylpropanoate
CID 144772065
[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 134200413
[2,5-bis(4-ethylphenyl)phenyl] 2-methylidenebutanoate
CID 118969552
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584

Frequently Asked Questions

What is the IUPAC name of [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate (CID 145122374) is [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(-c2ccc(C)cc2)ccc1-c1ccc(CO)cc1.
What is the InChIKey of [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is RDMPEAIHIBTTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-16(2)24(26)27-23-14-21(19-8-4-17(3)5-9-19)12-13-22(23)20-10-6-18(15-25)7-11-20/h4-14,25H,1,15H2,2-3H3.
What are the key properties of [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate?
[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 358.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 145122374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).