[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate

C38H32O6 — CID 76756661

IUPAC[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate
SMILESO=C(OC1Cc2ccccc2CC1OC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C38H32O6/c39-37(29-15-19-33(20-16-29)41-25-27-9-3-1-4-10-27)43-35-23-31-13-7-8-14-32(31)24-36(35)44-38(40)30-17-21-34(22-18-30)42-26-28-11-5-2-6-12-28/h1-22,35-36H,23-26H2
InChIKeyMGVDQARHJIXKSG-UHFFFAOYSA-N
MW584.67 g/mol
LogP7.39
Rot. Bonds10

About [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate

[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate (PubChem CID 76756661) has the molecular formula C38H32O6 and a molecular weight of 584.67 g/mol. Its IUPAC name is [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate
PubChem CID76756661
Molecular FormulaC38H32O6
Molecular Weight584.67 g/mol
Exact Mass584.22
IUPAC Name[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate
SMILESO=C(OC1Cc2ccccc2CC1OC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C38H32O6/c39-37(29-15-19-33(20-16-29)41-25-27-9-3-1-4-10-27)43-35-23-31-13-7-8-14-32(31)24-36(35)44-38(40)30-17-21-34(22-18-30)42-26-28-11-5-2-6-12-28/h1-22,35-36H,23-26H2
InChIKeyMGVDQARHJIXKSG-UHFFFAOYSA-N
XLogP7.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.67
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate with MolForge

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
[3-hydroxy-2-(hydroxymethyl)oxan-4-yl] 4-phenylmethoxybenzoate
CID 142600755
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
4-phenylmethoxybenzoyl fluoride
CID 154719359
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 2127625
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
acetamido 4-phenylmethoxybenzoate
CID 174287466
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate?
The IUPAC name of [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate (CID 76756661) is [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate?
The canonical SMILES for [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate is O=C(OC1Cc2ccccc2CC1OC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate?
The InChIKey is MGVDQARHJIXKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O6/c39-37(29-15-19-33(20-16-29)41-25-27-9-3-1-4-10-27)43-35-23-31-13-7-8-14-32(31)24-36(35)44-38(40)30-17-21-34(22-18-30)42-26-28-11-5-2-6-12-28/h1-22,35-36H,23-26H2.
What are the key properties of [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate?
[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate has a molecular weight of 584.67 g/mol, XLogP of 7.39, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 76756661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).