ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane

C52H60O8 — CID 167639567

IUPACethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane
SMILESCC.CCC.CCC.O=C(OCC(O)COc1cccc2ccccc12)c1cccc2ccccc12.O=C(OCC(O)COc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H20O4.C20H18O4.2C3H8.C2H6/c25-19(15-27-23-14-6-10-18-8-2-4-12-21(18)23)16-28-24(26)22-13-5-9-17-7-1-3-11-20(17)22;21-16(13-23-17-9-2-1-3-10-17)14-24-20(22)19-12-6-8-15-7-4-5-11-18(15)19;2*1-3-2;1-2/h1-14,19,25H,15-16H2;1-12,16,21H,13-14H2;2*3H2,1-2H3;1-2H3
InChIKeyOYYAXMHNHQFRNO-UHFFFAOYSA-N
MW813.04 g/mol
LogP11.89
Rot. Bonds12

About ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane

ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane (PubChem CID 167639567) has the molecular formula C52H60O8 and a molecular weight of 813.04 g/mol. Its IUPAC name is ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane.

Molecular Properties

Compound Nameethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane
PubChem CID167639567
Molecular FormulaC52H60O8
Molecular Weight813.04 g/mol
Exact Mass812.43
IUPAC Nameethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane
SMILESCC.CCC.CCC.O=C(OCC(O)COc1cccc2ccccc12)c1cccc2ccccc12.O=C(OCC(O)COc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H20O4.C20H18O4.2C3H8.C2H6/c25-19(15-27-23-14-6-10-18-8-2-4-12-21(18)23)16-28-24(26)22-13-5-9-17-7-1-3-11-20(17)22;21-16(13-23-17-9-2-1-3-10-17)14-24-20(22)19-12-6-8-15-7-4-5-11-18(15)19;2*1-3-2;1-2/h1-14,19,25H,15-16H2;1-12,16,21H,13-14H2;2*3H2,1-2H3;1-2H3
InChIKeyOYYAXMHNHQFRNO-UHFFFAOYSA-N
XLogP11.89
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.04
LogP ≤ 511.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;[2-hydroxy-3-(2-methylphenoxy)propyl] anthracene-9-carboxylate;(2-hydroxy-3-naphthalen-1-yloxypropyl) anthracene-9-carboxylate;propane
CID 167607842
[(2S)-2-hydroxy-3-phenoxypropyl] butanoate
CID 102180796
3-phenoxypropyl naphthalene-1-carboxylate
CID 71029614
ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane
CID 91084100
bis[2-hydroxy-3-(2-phenylphenoxy)propyl] benzene-1,2-dicarboxylate
CID 142703345
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
[3-(2-butoxybenzoyl)oxy-2-hydroxypropyl] 2-butoxybenzoate
CID 71171913
[2-hydroxy-3-[3-[2-hydroxy-3-(naphthalene-1-carbonyloxy)propyl]-2,4,6-trioxo-5-propyl-1,3,5-triazinan-1-yl]propyl] naphthalene-1-carboxylate
CID 129034159
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
(2-hydroxy-3-phenoxypropyl) 2-methylidenebutanoate
CID 149436973
(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995

Frequently Asked Questions

What is the IUPAC name of ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane?
The IUPAC name of ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane (CID 167639567) is ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane.
What is the SMILES notation for ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane?
The canonical SMILES for ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane is CC.CCC.CCC.O=C(OCC(O)COc1cccc2ccccc12)c1cccc2ccccc12.O=C(OCC(O)COc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane?
The InChIKey is OYYAXMHNHQFRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4.C20H18O4.2C3H8.C2H6/c25-19(15-27-23-14-6-10-18-8-2-4-12-21(18)23)16-28-24(26)22-13-5-9-17-7-1-3-11-20(17)22;21-16(13-23-17-9-2-1-3-10-17)14-24-20(22)19-12-6-8-15-7-4-5-11-18(15)19;2*1-3-2;1-2/h1-14,19,25H,15-16H2;1-12,16,21H,13-14H2;2*3H2,1-2H3;1-2H3.
What are the key properties of ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane?
ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane has a molecular weight of 813.04 g/mol, XLogP of 11.89, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane is sourced from PubChem (CID 167639567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).