[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate

C15H18O4 — CID 19421220

IUPAC[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C15H18O4/c1-2-14(16)18-11-12-6-8-13(9-7-12)19-15-5-3-4-10-17-15/h2,6-9,15H,1,3-5,10-11H2
InChIKeyBGPRHPMOCMQUNX-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.82
Rot. Bonds5

About [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate

[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate (PubChem CID 19421220) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
PubChem CID19421220
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C15H18O4/c1-2-14(16)18-11-12-6-8-13(9-7-12)19-15-5-3-4-10-17-15/h2,6-9,15H,1,3-5,10-11H2
InChIKeyBGPRHPMOCMQUNX-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide
CID 143844107
4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-(oxan-2-yloxy)phenol
CID 11745519
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
2-[4-(nitrosomethyl)phenoxy]oxane
CID 91171401
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 134310367
CID 168763543
CID 168763543
ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
CID 24722283
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate?
The IUPAC name of [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate (CID 19421220) is [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(OC2CCCCO2)cc1.
What is the InChIKey of [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate?
The InChIKey is BGPRHPMOCMQUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-14(16)18-11-12-6-8-13(9-7-12)19-15-5-3-4-10-17-15/h2,6-9,15H,1,3-5,10-11H2.
What are the key properties of [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate?
[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 19421220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).