(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate

C26H20O4 — CID 163406763

IUPAC(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(Oc2ccccc2)cc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C26H20O4/c1-18(2)26(27)30-25-22-16-10-9-15-21(22)23(28-19-11-5-3-6-12-19)17-24(25)29-20-13-7-4-8-14-20/h3-17H,1H2,2H3
InChIKeyHKFFCSMHCCJIQK-UHFFFAOYSA-N
MW396.44 g/mol
LogP6.91
Rot. Bonds6

About (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate

(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 163406763) has the molecular formula C26H20O4 and a molecular weight of 396.44 g/mol. Its IUPAC name is (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID163406763
Molecular FormulaC26H20O4
Molecular Weight396.44 g/mol
Exact Mass396.14
IUPAC Name(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(Oc2ccccc2)cc(Oc2ccccc2)c2ccccc12
InChIInChI=1S/C26H20O4/c1-18(2)26(27)30-25-22-16-10-9-15-21(22)23(28-19-11-5-3-6-12-19)17-24(25)29-20-13-7-4-8-14-20/h3-17H,1H2,2H3
InChIKeyHKFFCSMHCCJIQK-UHFFFAOYSA-N
XLogP6.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406654
[6-chloro-1-(2-methylprop-2-enoyloxy)-4-phenoxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 163406923
(2-acetyloxy-6-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406621
(6-chloro-2-methylsulfanyl-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407028
(10-phenoxy-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl) 2-methylprop-2-enoate
CID 163406847
(4-acetyloxy-2-aminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 163407001
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[4-(2-methylpropoxycarbonyloxy)-2-phenoxynaphthalen-1-yl] 2-methylpropyl carbonate
CID 153323186
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857

Frequently Asked Questions

What is the IUPAC name of (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate (CID 163406763) is (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(Oc2ccccc2)cc(Oc2ccccc2)c2ccccc12.
What is the InChIKey of (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is HKFFCSMHCCJIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O4/c1-18(2)26(27)30-25-22-16-10-9-15-21(22)23(28-19-11-5-3-6-12-19)17-24(25)29-20-13-7-4-8-14-20/h3-17H,1H2,2H3.
What are the key properties of (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate?
(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 396.44 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 163406763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).