bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol

C132H194O28 — CID 161169173

IUPACbis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol
SMILESC=C.C=C.C=C.C=C(C)c1cc(OC)c(O)c(OC)c1.C=C(C)c1ccc(O)cc1.C=Cc1ccc(O)cc1.CC.CC.CC.CC.CCc1ccc(O)cc1.COC.COC.COC.COC.COC.COC.COc1cc(C)cc(OC)c1O.COc1cc(C)cc(OC)c1O.COc1cccc(OC)c1O.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C11H14O3.2C9H12O3.C9H10O.C8H10O3.C8H10O.C8H8O.2C7H8O.5C6H6O.6C2H6O.4C2H6.3C2H4/c1-7(2)8-5-9(13-3)11(12)10(6-8)14-4;2*1-6-4-7(11-2)9(10)8(5-6)12-3;1-7(2)8-3-5-9(10)6-4-8;1-10-6-4-3-5-7(11-2)8(6)9;2*1-2-7-3-5-8(9)6-4-7;2*1-6-2-4-7(8)5-3-6;5*7-6-4-2-1-3-5-6;6*1-3-2;7*1-2/h5-6,12H,1H2,2-4H3;2*4-5,10H,1-3H3;3-6,10H,1H2,2H3;3-5,9H,1-2H3;3-6,9H,2H2,1H3;2-6,9H,1H2;2*2-5,8H,1H3;5*1-5,7H;6*1-2H3;4*1-2H3;3*1-2H2
InChIKeyUQYJNSLUHLKJMB-UHFFFAOYSA-N
MW2228.98 g/mol
LogP32.15
Rot. Bonds12

About bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol

bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol (PubChem CID 161169173) has the molecular formula C132H194O28 and a molecular weight of 2228.98 g/mol. Its IUPAC name is bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol.

Molecular Properties

Compound Namebis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol
PubChem CID161169173
Molecular FormulaC132H194O28
Molecular Weight2228.98 g/mol
Exact Mass2227.38
IUPAC Namebis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol
SMILESC=C.C=C.C=C.C=C(C)c1cc(OC)c(O)c(OC)c1.C=C(C)c1ccc(O)cc1.C=Cc1ccc(O)cc1.CC.CC.CC.CC.CCc1ccc(O)cc1.COC.COC.COC.COC.COC.COC.COc1cc(C)cc(OC)c1O.COc1cc(C)cc(OC)c1O.COc1cccc(OC)c1O.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C11H14O3.2C9H12O3.C9H10O.C8H10O3.C8H10O.C8H8O.2C7H8O.5C6H6O.6C2H6O.4C2H6.3C2H4/c1-7(2)8-5-9(13-3)11(12)10(6-8)14-4;2*1-6-4-7(11-2)9(10)8(5-6)12-3;1-7(2)8-3-5-9(10)6-4-8;1-10-6-4-3-5-7(11-2)8(6)9;2*1-2-7-3-5-8(9)6-4-7;2*1-6-2-4-7(8)5-3-6;5*7-6-4-2-1-3-5-6;6*1-3-2;7*1-2/h5-6,12H,1H2,2-4H3;2*4-5,10H,1-3H3;3-6,10H,1H2,2H3;3-5,9H,1-2H3;3-6,9H,2H2,1H3;2-6,9H,1H2;2*2-5,8H,1H3;5*1-5,7H;6*1-2H3;4*1-2H3;3*1-2H2
InChIKeyUQYJNSLUHLKJMB-UHFFFAOYSA-N
XLogP32.15
TPSA412.44 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002228.98
LogP ≤ 532.15
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol with MolForge

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Related Compounds

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1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate
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3-ethenylphenol;methanol;4-methylphenol
CID 144866816
4-ethenyl-2-ethyl-6-methoxyphenol
CID 175119671
2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid
CID 89216840
1-ethenyl-3-ethylbenzene;1-ethenyl-2-methoxybenzene
CID 122483401
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
ethane;ethene;4-ethenylphenol
CID 178000559
1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate
CID 142132949
[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol
CID 123395006
1-ethenyl-4-methylbenzene;styrene
CID 159659441
benzene;ethene;phenol;styrene
CID 174599559

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol?
The IUPAC name of bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol (CID 161169173) is bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol.
What is the SMILES notation for bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol?
The canonical SMILES for bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol is C=C.C=C.C=C.C=C(C)c1cc(OC)c(O)c(OC)c1.C=C(C)c1ccc(O)cc1.C=Cc1ccc(O)cc1.CC.CC.CC.CC.CCc1ccc(O)cc1.COC.COC.COC.COC.COC.COC.COc1cc(C)cc(OC)c1O.COc1cc(C)cc(OC)c1O.COc1cccc(OC)c1O.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol?
The InChIKey is UQYJNSLUHLKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.2C9H12O3.C9H10O.C8H10O3.C8H10O.C8H8O.2C7H8O.5C6H6O.6C2H6O.4C2H6.3C2H4/c1-7(2)8-5-9(13-3)11(12)10(6-8)14-4;2*1-6-4-7(11-2)9(10)8(5-6)12-3;1-7(2)8-3-5-9(10)6-4-8;1-10-6-4-3-5-7(11-2)8(6)9;2*1-2-7-3-5-8(9)6-4-7;2*1-6-2-4-7(8)5-3-6;5*7-6-4-2-1-3-5-6;6*1-3-2;7*1-2/h5-6,12H,1H2,2-4H3;2*4-5,10H,1-3H3;3-6,10H,1H2,2H3;3-5,9H,1-2H3;3-6,9H,2H2,1H3;2-6,9H,1H2;2*2-5,8H,1H3;5*1-5,7H;6*1-2H3;4*1-2H3;3*1-2H2.
What are the key properties of bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol?
bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol has a molecular weight of 2228.98 g/mol, XLogP of 32.15, 12 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethoxy-4-methylphenol);2,6-dimethoxyphenol;2,6-dimethoxy-4-prop-1-en-2-ylphenol;ethane;ethene;4-ethenylphenol;4-ethylphenol;methoxymethane;bis(4-methylphenol);phenol;4-prop-1-en-2-ylphenol is sourced from PubChem (CID 161169173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).