4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene

C17H25ClO2 — CID 103184988

IUPAC4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
SMILESCOCCCOCCC1(CCl)CCCc2ccccc21
InChIInChI=1S/C17H25ClO2/c1-19-11-5-12-20-13-10-17(14-18)9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8H,4-5,7,9-14H2,1H3
InChIKeyDGBCUVKHNXAERA-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.94
Rot. Bonds8

About 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene

4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene (PubChem CID 103184988) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
PubChem CID103184988
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene
SMILESCOCCCOCCC1(CCl)CCCc2ccccc21
InChIInChI=1S/C17H25ClO2/c1-19-11-5-12-20-13-10-17(14-18)9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8H,4-5,7,9-14H2,1H3
InChIKeyDGBCUVKHNXAERA-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-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

4-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-naphthalene
CID 103415407
2-methoxy-N-[[1-(2-methoxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]ethanamine
CID 62718320
[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 62724312
[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl-trimethylsilane
CID 106324106
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 104650512
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 104648534
1-[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 103984610
4-(chloromethyl)-4-(2-propylsulfonylethyl)-2,3-dihydro-1H-naphthalene
CID 106734497
4-(chloromethyl)-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66036331
2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66036104
[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine
CID 103184853

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene (CID 103184988) is 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene is COCCCOCCC1(CCl)CCCc2ccccc21.
What is the InChIKey of 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene?
The InChIKey is DGBCUVKHNXAERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-19-11-5-12-20-13-10-17(14-18)9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8H,4-5,7,9-14H2,1H3.
What are the key properties of 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene?
4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene has a molecular weight of 296.84 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 103184988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).