anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene

C86H106O4 — CID 158103342

IUPACanisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene
SMILESCC.CC.CC.CC.CC.CC.CCc1c2ccccc2cc2ccccc12.CCc1c2ccccc2cc2ccccc12.CCc1c2ccccc2cc2ccccc12.COc1ccc2ccccc2c1.COc1ccccc1.COc1ccccc1OC
InChIInChI=1S/3C16H14.C11H10O.C8H10O2.C7H8O.6C2H6/c3*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-9-7-5-3-4-6-8(7)10-2;1-8-7-5-3-2-4-6-7;6*1-2/h3*3-11H,2H2,1H3;2-8H,1H3;3-6H,1-2H3;2-6H,1H3;6*1-2H3
InChIKeyFPNPOTZUQXZPJU-UHFFFAOYSA-N
MW1203.79 g/mol
LogP26.07
Rot. Bonds7

About anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene

anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene (PubChem CID 158103342) has the molecular formula C86H106O4 and a molecular weight of 1203.79 g/mol. Its IUPAC name is anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene.

Molecular Properties

Compound Nameanisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene
PubChem CID158103342
Molecular FormulaC86H106O4
Molecular Weight1203.79 g/mol
Exact Mass1202.81
IUPAC Nameanisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene
SMILESCC.CC.CC.CC.CC.CC.CCc1c2ccccc2cc2ccccc12.CCc1c2ccccc2cc2ccccc12.CCc1c2ccccc2cc2ccccc12.COc1ccc2ccccc2c1.COc1ccccc1.COc1ccccc1OC
InChIInChI=1S/3C16H14.C11H10O.C8H10O2.C7H8O.6C2H6/c3*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-9-7-5-3-4-6-8(7)10-2;1-8-7-5-3-2-4-6-7;6*1-2/h3*3-11H,2H2,1H3;2-8H,1H3;3-6H,1-2H3;2-6H,1H3;6*1-2H3
InChIKeyFPNPOTZUQXZPJU-UHFFFAOYSA-N
XLogP26.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.79
LogP ≤ 526.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157147804
1-[(2-methoxynaphthalen-1-yl)methoxy]anthracene
CID 71427905
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
2-ethyl-3-methoxynaphthalen-1-ol
CID 14616011
anisole;argon;propane
CID 165043377
9-chloro-2-methoxyanthracene
CID 139968553
9-bromo-2-methoxyanthracene
CID 11011618
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 142255982
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
2,6-dimethoxy-1-methylnaphthalene
CID 68950467

Frequently Asked Questions

What is the IUPAC name of anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene?
The IUPAC name of anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene (CID 158103342) is anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene.
What is the SMILES notation for anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene?
The canonical SMILES for anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene is CC.CC.CC.CC.CC.CC.CCc1c2ccccc2cc2ccccc12.CCc1c2ccccc2cc2ccccc12.CCc1c2ccccc2cc2ccccc12.COc1ccc2ccccc2c1.COc1ccccc1.COc1ccccc1OC.
What is the InChIKey of anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene?
The InChIKey is FPNPOTZUQXZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H14.C11H10O.C8H10O2.C7H8O.6C2H6/c3*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-9-7-5-3-4-6-8(7)10-2;1-8-7-5-3-2-4-6-7;6*1-2/h3*3-11H,2H2,1H3;2-8H,1H3;3-6H,1-2H3;2-6H,1H3;6*1-2H3.
What are the key properties of anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene?
anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene has a molecular weight of 1203.79 g/mol, XLogP of 26.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene is sourced from PubChem (CID 158103342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).