2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene

C18H21ClO — CID 103558104

IUPAC2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene
SMILESCOC1(CC(Cl)Cc2ccc3ccccc3c2)CCC1
InChIInChI=1S/C18H21ClO/c1-20-18(9-4-10-18)13-17(19)12-14-7-8-15-5-2-3-6-16(15)11-14/h2-3,5-8,11,17H,4,9-10,12-13H2,1H3
InChIKeyMBLHAYOHDWKTTL-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.95
Rot. Bonds5

About 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene

2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene (PubChem CID 103558104) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene.

Molecular Properties

Compound Name2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene
PubChem CID103558104
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene
SMILESCOC1(CC(Cl)Cc2ccc3ccccc3c2)CCC1
InChIInChI=1S/C18H21ClO/c1-20-18(9-4-10-18)13-17(19)12-14-7-8-15-5-2-3-6-16(15)11-14/h2-3,5-8,11,17H,4,9-10,12-13H2,1H3
InChIKeyMBLHAYOHDWKTTL-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]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-(1-methoxycyclobutyl)-1-naphthalen-2-ylethanamine
CID 103559265
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
2-(2-chlorobutyl)naphthalene
CID 21490588
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757
1-(4-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 107891592
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556970
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
CID 107183620
methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325168
2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
CID 57017879

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene?
The IUPAC name of 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene (CID 103558104) is 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene.
What is the SMILES notation for 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene?
The canonical SMILES for 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene is COC1(CC(Cl)Cc2ccc3ccccc3c2)CCC1.
What is the InChIKey of 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene?
The InChIKey is MBLHAYOHDWKTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-20-18(9-4-10-18)13-17(19)12-14-7-8-15-5-2-3-6-16(15)11-14/h2-3,5-8,11,17H,4,9-10,12-13H2,1H3.
What are the key properties of 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene?
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene has a molecular weight of 288.82 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene is sourced from PubChem (CID 103558104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).