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

C11H12O3 — CID 18459584

IUPAC[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(CO)cc1
InChIInChI=1S/C11H12O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-6,12H,1,7H2,2H3
InChIKeyQZYXHCYNSHVMDF-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.66
Rot. Bonds3

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

[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate (PubChem CID 18459584) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
PubChem CID18459584
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(CO)cc1
InChIInChI=1S/C11H12O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-6,12H,1,7H2,2H3
InChIKeyQZYXHCYNSHVMDF-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.66
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

[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
1-(2-methylprop-2-enoyloxy)-4-[(sulfinoamino)methyl]benzene
CID 23469435
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
[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-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219776
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628388

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate (CID 18459584) is [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(CO)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is QZYXHCYNSHVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-6,12H,1,7H2,2H3.
What are the key properties of [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate?
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18459584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).