1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene

C33H44O3 — CID 101094688

IUPAC1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
SMILESCCCCCCCCCCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C33H44O3/c1-4-5-6-7-8-9-10-11-12-16-27-36-33(28-17-14-13-15-18-28,29-19-23-31(34-2)24-20-29)30-21-25-32(35-3)26-22-30/h13-15,17-26H,4-12,16,27H2,1-3H3
InChIKeyAJBMYZSFPBKSHB-UHFFFAOYSA-N
MW488.71 g/mol
LogP8.93
Rot. Bonds17

About 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene

1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene (PubChem CID 101094688) has the molecular formula C33H44O3 and a molecular weight of 488.71 g/mol. Its IUPAC name is 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
PubChem CID101094688
Molecular FormulaC33H44O3
Molecular Weight488.71 g/mol
Exact Mass488.33
IUPAC Name1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
SMILESCCCCCCCCCCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C33H44O3/c1-4-5-6-7-8-9-10-11-12-16-27-36-33(28-17-14-13-15-18-28,29-19-23-31(34-2)24-20-29)30-21-25-32(35-3)26-22-30/h13-15,17-26H,4-12,16,27H2,1-3H3
InChIKeyAJBMYZSFPBKSHB-UHFFFAOYSA-N
XLogP8.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.71
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene 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

1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
(2R)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropane-2-thiol
CID 10051358
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane
CID 118667700
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide
CID 131736534
(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-7-hydroxyundecan-6-yl] acetate
CID 162096764
1-[(2-decoxy-3-dodecylsulfanylpropoxy)-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 59819529
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697

Frequently Asked Questions

What is the IUPAC name of 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene?
The IUPAC name of 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene (CID 101094688) is 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene?
The canonical SMILES for 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene is CCCCCCCCCCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene?
The InChIKey is AJBMYZSFPBKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44O3/c1-4-5-6-7-8-9-10-11-12-16-27-36-33(28-17-14-13-15-18-28,29-19-23-31(34-2)24-20-29)30-21-25-32(35-3)26-22-30/h13-15,17-26H,4-12,16,27H2,1-3H3.
What are the key properties of 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene?
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene has a molecular weight of 488.71 g/mol, XLogP of 8.93, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene is sourced from PubChem (CID 101094688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).