[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate

C18H18O3 — CID 134200555

IUPAC[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C18H18O3/c1-13(2)18(20)21-12-15-4-3-5-17(10-15)16-8-6-14(11-19)7-9-16/h3-10,19H,1,11-12H2,2H3
InChIKeyRVDWOIQDYZFMQU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.47
Rot. Bonds5

About [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate

[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate (PubChem CID 134200555) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
PubChem CID134200555
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C18H18O3/c1-13(2)18(20)21-12-15-4-3-5-17(10-15)16-8-6-14(11-19)7-9-16/h3-10,19H,1,11-12H2,2H3
InChIKeyRVDWOIQDYZFMQU-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.47
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

[4-[3-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 139921070
[2-[4-(hydroxymethyl)phenyl]-5-phenylphenyl] 2-methylprop-2-enoate
CID 134198380
[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
CID 177260916
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[5-[4-(hydroxymethyl)phenyl]-2-(4-methylcyclohexyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122339
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
[4-(4-bromophenyl)phenyl]methyl 2-methylprop-2-enoate
CID 140797428
[3-(2-methylprop-2-enoyloxymethyl)phenyl]boronic acid
CID 162702390
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[2-(hydroxymethyl)-5-(4-propylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134193028
[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 145122374

Frequently Asked Questions

What is the IUPAC name of [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate (CID 134200555) is [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cccc(-c2ccc(CO)cc2)c1.
What is the InChIKey of [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is RVDWOIQDYZFMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-13(2)18(20)21-12-15-4-3-5-17(10-15)16-8-6-14(11-19)7-9-16/h3-10,19H,1,11-12H2,2H3.
What are the key properties of [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate?
[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 134200555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).