bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate

C17H16O5 — CID 57302242

IUPACbis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate
SMILESC=C(OC)C(=O)OC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H16O5/c1-11(21-2)17(20)22-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16,18-19H,1H2,2H3
InChIKeyXVMPPKLTLNHFKZ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.89
Rot. Bonds5

About bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate

bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate (PubChem CID 57302242) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate
PubChem CID57302242
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Namebis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate
SMILESC=C(OC)C(=O)OC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H16O5/c1-11(21-2)17(20)22-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16,18-19H,1H2,2H3
InChIKeyXVMPPKLTLNHFKZ-UHFFFAOYSA-N
XLogP2.89
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate
CID 89393354
methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate
CID 139700678
1-(4-hydroxyphenyl)ethyl 2-oxopropanoate
CID 139681074
N-[(4-hydroxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 3801110
methyl 3-(4-hydroxyphenyl)sulfanyl-2-methylpropanoate
CID 61030599
methyl 2-amino-3-(4-hydroxyphenyl)butanoate
CID 83909294
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
bis[2-methoxy-1-(4-methylphenyl)-2-oxoethyl] 2-methylidenebutanedioate
CID 141044770
[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate
CID 89393349
4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol
CID 22925884
benzene-1,4-diol;bis(methyl prop-2-enoate)
CID 174482971
benzene-1,4-diol;methyl prop-2-enoate
CID 161143106

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate?
The IUPAC name of bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate (CID 57302242) is bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate.
What is the SMILES notation for bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate?
The canonical SMILES for bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate is C=C(OC)C(=O)OC(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate?
The InChIKey is XVMPPKLTLNHFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-11(21-2)17(20)22-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16,18-19H,1H2,2H3.
What are the key properties of bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate?
bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate has a molecular weight of 300.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate is sourced from PubChem (CID 57302242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).