2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene

C36H30O4 — CID 139257429

IUPAC2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene
SMILESCOCOc1ccc2ccccc2c1-c1ccc(-c2ccc(-c3c(OCOC)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C36H30O4/c1-37-23-39-33-21-19-27-7-3-5-9-31(27)35(33)29-15-11-25(12-16-29)26-13-17-30(18-14-26)36-32-10-6-4-8-28(32)20-22-34(36)40-24-38-2/h3-22H,23-24H2,1-2H3
InChIKeyRZEGTVSVGXKTAK-UHFFFAOYSA-N
MW526.63 g/mol
LogP8.96
Rot. Bonds9

About 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene

2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene (PubChem CID 139257429) has the molecular formula C36H30O4 and a molecular weight of 526.63 g/mol. Its IUPAC name is 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene
PubChem CID139257429
Molecular FormulaC36H30O4
Molecular Weight526.63 g/mol
Exact Mass526.21
IUPAC Name2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene
SMILESCOCOc1ccc2ccccc2c1-c1ccc(-c2ccc(-c3c(OCOC)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C36H30O4/c1-37-23-39-33-21-19-27-7-3-5-9-31(27)35(33)29-15-11-25(12-16-29)26-13-17-30(18-14-26)36-32-10-6-4-8-28(32)20-22-34(36)40-24-38-2/h3-22H,23-24H2,1-2H3
InChIKeyRZEGTVSVGXKTAK-UHFFFAOYSA-N
XLogP8.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene?
The IUPAC name of 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene (CID 139257429) is 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene.
What is the SMILES notation for 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene?
The canonical SMILES for 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene is COCOc1ccc2ccccc2c1-c1ccc(-c2ccc(-c3c(OCOC)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene?
The InChIKey is RZEGTVSVGXKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O4/c1-37-23-39-33-21-19-27-7-3-5-9-31(27)35(33)29-15-11-25(12-16-29)26-13-17-30(18-14-26)36-32-10-6-4-8-28(32)20-22-34(36)40-24-38-2/h3-22H,23-24H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene?
2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene has a molecular weight of 526.63 g/mol, XLogP of 8.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene is sourced from PubChem (CID 139257429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).