2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate

C25H24O5S — CID 166589868

IUPAC2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate
SMILESCOc1ccc2ccccc2c1Cc1c(OCCOS(C)(=O)=O)ccc2ccccc12
InChIInChI=1S/C25H24O5S/c1-28-24-13-11-18-7-3-5-9-20(18)22(24)17-23-21-10-6-4-8-19(21)12-14-25(23)29-15-16-30-31(2,26)27/h3-14H,15-17H2,1-2H3
InChIKeyHHCLWSPNWWHXKT-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.95
Rot. Bonds8

About 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate

2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate (PubChem CID 166589868) has the molecular formula C25H24O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate.

Molecular Properties

Compound Name2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate
PubChem CID166589868
Molecular FormulaC25H24O5S
Molecular Weight436.53 g/mol
Exact Mass436.13
IUPAC Name2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate
SMILESCOc1ccc2ccccc2c1Cc1c(OCCOS(C)(=O)=O)ccc2ccccc12
InChIInChI=1S/C25H24O5S/c1-28-24-13-11-18-7-3-5-9-20(18)22(24)17-23-21-10-6-4-8-19(21)12-14-25(23)29-15-16-30-31(2,26)27/h3-14H,15-17H2,1-2H3
InChIKeyHHCLWSPNWWHXKT-UHFFFAOYSA-N
XLogP4.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate 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-(bromomethyl)-2-(2-methylsulfonylethoxy)naphthalene
CID 54915025
3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
CID 22681770
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
N-(2-methoxyethoxy)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 82714997
2-(2-ethylphenoxy)ethyl methanesulfonate
CID 19809138
1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene
CID 166896923
1-ethyl-2-propoxynaphthalene
CID 129259410
N'-[(2-methoxynaphthalen-1-yl)methyl]-N'-methylethane-1,2-diamine
CID 62682753
1-(chloromethyl)-2-(4-methoxybutoxy)naphthalene
CID 104648105
methyl 4-[1-(methylaminomethyl)naphthalen-2-yl]oxybutanoate
CID 60888670
2-[4-(2-methylsulfonyloxyethoxy)phenoxy]ethyl methanesulfonate
CID 11121773
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate?
The IUPAC name of 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate (CID 166589868) is 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate.
What is the SMILES notation for 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate?
The canonical SMILES for 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate is COc1ccc2ccccc2c1Cc1c(OCCOS(C)(=O)=O)ccc2ccccc12.
What is the InChIKey of 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate?
The InChIKey is HHCLWSPNWWHXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5S/c1-28-24-13-11-18-7-3-5-9-20(18)22(24)17-23-21-10-6-4-8-19(21)12-14-25(23)29-15-16-30-31(2,26)27/h3-14H,15-17H2,1-2H3.
What are the key properties of 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate?
2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate has a molecular weight of 436.53 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate is sourced from PubChem (CID 166589868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).