anisole;ethane;2-methoxynaphthalene;propane

C37H74O2 — CID 158674412

IUPACanisole;ethane;2-methoxynaphthalene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCC.COc1ccc2ccccc2c1.COc1ccccc1
InChIInChI=1S/C11H10O.C7H8O.C3H8.8C2H6/c1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-8-7-5-3-2-4-6-7;1-3-2;8*1-2/h2-8H,1H3;2-6H,1H3;3H2,1-2H3;8*1-2H3
InChIKeyIEILBFRDUBTTCD-UHFFFAOYSA-N
MW551.00 g/mol
LogP14.17
Rot. Bonds2

About anisole;ethane;2-methoxynaphthalene;propane

anisole;ethane;2-methoxynaphthalene;propane (PubChem CID 158674412) has the molecular formula C37H74O2 and a molecular weight of 551.00 g/mol. Its IUPAC name is anisole;ethane;2-methoxynaphthalene;propane.

Molecular Properties

Compound Nameanisole;ethane;2-methoxynaphthalene;propane
PubChem CID158674412
Molecular FormulaC37H74O2
Molecular Weight551.00 g/mol
Exact Mass550.57
IUPAC Nameanisole;ethane;2-methoxynaphthalene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCC.COc1ccc2ccccc2c1.COc1ccccc1
InChIInChI=1S/C11H10O.C7H8O.C3H8.8C2H6/c1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-8-7-5-3-2-4-6-7;1-3-2;8*1-2/h2-8H,1H3;2-6H,1H3;3H2,1-2H3;8*1-2H3
InChIKeyIEILBFRDUBTTCD-UHFFFAOYSA-N
XLogP14.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.00
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene
CID 158103342
anisole;argon;propane
CID 165043377
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
anisole;naphthalen-2-amine
CID 159214665
2-methoxy-6-phenylnaphthalene
CID 11253308
anisole;1,1'-biphenyl;naphthalene
CID 161250692
anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
CID 161162660
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-ethoxynaphthalene
CID 118978197
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of anisole;ethane;2-methoxynaphthalene;propane?
The IUPAC name of anisole;ethane;2-methoxynaphthalene;propane (CID 158674412) is anisole;ethane;2-methoxynaphthalene;propane.
What is the SMILES notation for anisole;ethane;2-methoxynaphthalene;propane?
The canonical SMILES for anisole;ethane;2-methoxynaphthalene;propane is CC.CC.CC.CC.CC.CC.CC.CC.CCC.COc1ccc2ccccc2c1.COc1ccccc1.
What is the InChIKey of anisole;ethane;2-methoxynaphthalene;propane?
The InChIKey is IEILBFRDUBTTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.C7H8O.C3H8.8C2H6/c1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-8-7-5-3-2-4-6-7;1-3-2;8*1-2/h2-8H,1H3;2-6H,1H3;3H2,1-2H3;8*1-2H3.
What are the key properties of anisole;ethane;2-methoxynaphthalene;propane?
anisole;ethane;2-methoxynaphthalene;propane has a molecular weight of 551.00 g/mol, XLogP of 14.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;2-methoxynaphthalene;propane is sourced from PubChem (CID 158674412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).