2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene

C20H28O4 — CID 150871018

IUPAC2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene
SMILESCCCOCOc1c(C)c(C)c(OCOCCC)c2ccccc12
InChIInChI=1S/C20H28O4/c1-5-11-21-13-23-19-15(3)16(4)20(24-14-22-12-6-2)18-10-8-7-9-17(18)19/h7-10H,5-6,11-14H2,1-4H3
InChIKeyKUAOZRHWDCBFCU-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.98
Rot. Bonds10

About 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene

2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene (PubChem CID 150871018) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene.

Molecular Properties

Compound Name2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene
PubChem CID150871018
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene
SMILESCCCOCOc1c(C)c(C)c(OCOCCC)c2ccccc12
InChIInChI=1S/C20H28O4/c1-5-11-21-13-23-19-15(3)16(4)20(24-14-22-12-6-2)18-10-8-7-9-17(18)19/h7-10H,5-6,11-14H2,1-4H3
InChIKeyKUAOZRHWDCBFCU-UHFFFAOYSA-N
XLogP4.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene 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

2,3-dimethyl-1,4-di(nonoxy)naphthalene
CID 153323309
1,4-diheptoxy-2,3-dimethylnaphthalene
CID 153323338
2-pentyl-9,10-bis(propoxymethoxy)anthracene
CID 152708023
2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde
CID 86627230
2-pentyl-9,10-bis(propoxymethoxy)-1,4-dihydroanthracene
CID 153323114
2,3-dimethyl-1,4-bis(3-methylbutoxy)naphthalene
CID 153323329
9,10-bis(methoxymethoxy)anthracene
CID 150706504
9,10-dioctoxyanthracene
CID 21304201
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
3-(dodecoxymethoxy)-2-[[3-(dodecoxymethoxy)-1-benzothiophen-2-yl]methyl]-1-benzothiophene
CID 59946730
2,4-dichloro-1-propoxynaphthalene
CID 70099872
hexatriacontoxymethoxybenzene
CID 21131247

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene?
The IUPAC name of 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene (CID 150871018) is 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene.
What is the SMILES notation for 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene?
The canonical SMILES for 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene is CCCOCOc1c(C)c(C)c(OCOCCC)c2ccccc12.
What is the InChIKey of 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene?
The InChIKey is KUAOZRHWDCBFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4/c1-5-11-21-13-23-19-15(3)16(4)20(24-14-22-12-6-2)18-10-8-7-9-17(18)19/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene?
2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene has a molecular weight of 332.44 g/mol, XLogP of 4.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-bis(propoxymethoxy)naphthalene is sourced from PubChem (CID 150871018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).