2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene

C23H26O3 — CID 70366053

IUPAC2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene
SMILESCOCCC(COC)c1cccc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H26O3/c1-24-13-12-22(17-25-2)21-8-5-9-23(15-21)26-16-18-10-11-19-6-3-4-7-20(19)14-18/h3-11,14-15,22H,12-13,16-17H2,1-2H3
InChIKeyCQTZPZLLRCJMLQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.19
Rot. Bonds9

About 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene

2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene (PubChem CID 70366053) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene.

Molecular Properties

Compound Name2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene
PubChem CID70366053
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene
SMILESCOCCC(COC)c1cccc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H26O3/c1-24-13-12-22(17-25-2)21-8-5-9-23(15-21)26-16-18-10-11-19-6-3-4-7-20(19)14-18/h3-11,14-15,22H,12-13,16-17H2,1-2H3
InChIKeyCQTZPZLLRCJMLQ-UHFFFAOYSA-N
XLogP5.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]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

[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol
CID 22408605
1-(2-methoxyethyl)-4-[(3-propan-2-ylphenyl)methoxy]benzene
CID 168937708
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]butanenitrile
CID 19761557
2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene
CID 19899554
(3-methoxy-1-naphthalen-2-ylpropyl)hydrazine
CID 105206319
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene?
The IUPAC name of 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene (CID 70366053) is 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene.
What is the SMILES notation for 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene?
The canonical SMILES for 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene is COCCC(COC)c1cccc(OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene?
The InChIKey is CQTZPZLLRCJMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-24-13-12-22(17-25-2)21-8-5-9-23(15-21)26-16-18-10-11-19-6-3-4-7-20(19)14-18/h3-11,14-15,22H,12-13,16-17H2,1-2H3.
What are the key properties of 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene?
2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene has a molecular weight of 350.46 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene is sourced from PubChem (CID 70366053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).