anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene

C106H136O9 — CID 159233656

IUPACanisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
SMILESC=CCc1cc(C(C)(C)c2ccc(OC)c(CC=C)c2)ccc1C.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(C)cc1.COc1ccc(Cc2ccc(C)cc2)cc1.COc1cccc(C)c1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1C
InChIInChI=1S/C23H28O.C17H20O.C15H16O.3C8H10O.3C7H8O.3C2H6/c1-7-9-18-15-20(12-11-17(18)3)23(4,5)21-13-14-22(24-6)19(16-21)10-8-2;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15;1-12-3-5-13(6-4-12)11-14-7-9-15(16-2)10-8-14;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;3*1-8-7-5-3-2-4-6-7;3*1-2/h7-8,11-16H,1-2,9-10H2,3-6H3;5-12H,1-4H3;3-10H,11H2,1-2H3;3*3-6H,1-2H3;3*2-6H,1H3;3*1-2H3
InChIKeyKTFBUVLRCAZFRC-UHFFFAOYSA-N
MW1554.24 g/mol
LogP27.89
Rot. Bonds19

About anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene

anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene (PubChem CID 159233656) has the molecular formula C106H136O9 and a molecular weight of 1554.24 g/mol. Its IUPAC name is anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene.

Molecular Properties

Compound Nameanisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
PubChem CID159233656
Molecular FormulaC106H136O9
Molecular Weight1554.24 g/mol
Exact Mass1553.02
IUPAC Nameanisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
SMILESC=CCc1cc(C(C)(C)c2ccc(OC)c(CC=C)c2)ccc1C.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(C)cc1.COc1ccc(Cc2ccc(C)cc2)cc1.COc1cccc(C)c1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1C
InChIInChI=1S/C23H28O.C17H20O.C15H16O.3C8H10O.3C7H8O.3C2H6/c1-7-9-18-15-20(12-11-17(18)3)23(4,5)21-13-14-22(24-6)19(16-21)10-8-2;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15;1-12-3-5-13(6-4-12)11-14-7-9-15(16-2)10-8-14;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;3*1-8-7-5-3-2-4-6-7;3*1-2/h7-8,11-16H,1-2,9-10H2,3-6H3;5-12H,1-4H3;3-10H,11H2,1-2H3;3*3-6H,1-2H3;3*2-6H,1H3;3*1-2H3
InChIKeyKTFBUVLRCAZFRC-UHFFFAOYSA-N
XLogP27.89
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001554.24
LogP ≤ 527.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene 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

2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
1-Methoxyphenanthrene
CID 43547
bleformin D
CID 134152729
Multicaulin
CID 467782
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
AR-D38 2,7-Dimethoxyphenanthrene
CID 299494
4,4'-Bis(2-(2-methoxyphenyl)ethenyl)-1,1'-biphenyl
CID 170381
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
Riccardin C derivative, 19a
CID 10528213
2-(4-Methoxy-benzyl)-naphthalen-1-ol
CID 15617839

Frequently Asked Questions

What is the IUPAC name of anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene?
The IUPAC name of anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene (CID 159233656) is anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene.
What is the SMILES notation for anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene?
The canonical SMILES for anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene is C=CCc1cc(C(C)(C)c2ccc(OC)c(CC=C)c2)ccc1C.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(C)cc1.COc1ccc(Cc2ccc(C)cc2)cc1.COc1cccc(C)c1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1C.
What is the InChIKey of anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene?
The InChIKey is KTFBUVLRCAZFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O.C17H20O.C15H16O.3C8H10O.3C7H8O.3C2H6/c1-7-9-18-15-20(12-11-17(18)3)23(4,5)21-13-14-22(24-6)19(16-21)10-8-2;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15;1-12-3-5-13(6-4-12)11-14-7-9-15(16-2)10-8-14;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;3*1-8-7-5-3-2-4-6-7;3*1-2/h7-8,11-16H,1-2,9-10H2,3-6H3;5-12H,1-4H3;3-10H,11H2,1-2H3;3*3-6H,1-2H3;3*2-6H,1H3;3*1-2H3.
What are the key properties of anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene?
anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene has a molecular weight of 1554.24 g/mol, XLogP of 27.89, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-[(4-methylphenyl)methyl]benzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-(4-methyl-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene is sourced from PubChem (CID 159233656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).