ethane;methane;bis(naphthalen-1-ol);phenol;propane

C35H48O3 — CID 158772612

IUPACethane;methane;bis(naphthalen-1-ol);phenol;propane
SMILESC.CC.CCC.CCC.Oc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1ccccc1
InChIInChI=1S/2C10H8O.C6H6O.2C3H8.C2H6.CH4/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6;2*1-3-2;1-2;/h2*1-7,11H;1-5,7H;2*3H2,1-2H3;1-2H3;1H4
InChIKeyIQBIHLFIARPIGU-UHFFFAOYSA-N
MW516.77 g/mol
LogP10.98
Rot. Bonds

About ethane;methane;bis(naphthalen-1-ol);phenol;propane

ethane;methane;bis(naphthalen-1-ol);phenol;propane (PubChem CID 158772612) has the molecular formula C35H48O3 and a molecular weight of 516.77 g/mol. Its IUPAC name is ethane;methane;bis(naphthalen-1-ol);phenol;propane.

Molecular Properties

Compound Nameethane;methane;bis(naphthalen-1-ol);phenol;propane
PubChem CID158772612
Molecular FormulaC35H48O3
Molecular Weight516.77 g/mol
Exact Mass516.36
IUPAC Nameethane;methane;bis(naphthalen-1-ol);phenol;propane
SMILESC.CC.CCC.CCC.Oc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1ccccc1
InChIInChI=1S/2C10H8O.C6H6O.2C3H8.C2H6.CH4/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6;2*1-3-2;1-2;/h2*1-7,11H;1-5,7H;2*3H2,1-2H3;1-2H3;1H4
InChIKeyIQBIHLFIARPIGU-UHFFFAOYSA-N
XLogP10.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.77
LogP ≤ 510.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;bis(naphthalen-1-ol);phenol;propane?
The IUPAC name of ethane;methane;bis(naphthalen-1-ol);phenol;propane (CID 158772612) is ethane;methane;bis(naphthalen-1-ol);phenol;propane.
What is the SMILES notation for ethane;methane;bis(naphthalen-1-ol);phenol;propane?
The canonical SMILES for ethane;methane;bis(naphthalen-1-ol);phenol;propane is C.CC.CCC.CCC.Oc1cccc2ccccc12.Oc1cccc2ccccc12.Oc1ccccc1.
What is the InChIKey of ethane;methane;bis(naphthalen-1-ol);phenol;propane?
The InChIKey is IQBIHLFIARPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8O.C6H6O.2C3H8.C2H6.CH4/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6;2*1-3-2;1-2;/h2*1-7,11H;1-5,7H;2*3H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;bis(naphthalen-1-ol);phenol;propane?
ethane;methane;bis(naphthalen-1-ol);phenol;propane has a molecular weight of 516.77 g/mol, XLogP of 10.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;bis(naphthalen-1-ol);phenol;propane is sourced from PubChem (CID 158772612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).