1-(chloromethyl)-2-heptoxynaphthalene

C18H23ClO — CID 43505662

IUPAC1-(chloromethyl)-2-heptoxynaphthalene
SMILESCCCCCCCOc1ccc2ccccc2c1CCl
InChIInChI=1S/C18H23ClO/c1-2-3-4-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19/h6-7,9-12H,2-5,8,13-14H2,1H3
InChIKeyZUSMMJNJQXMVLU-UHFFFAOYSA-N
MW290.83 g/mol
LogP5.93
Rot. Bonds8

About 1-(chloromethyl)-2-heptoxynaphthalene

1-(chloromethyl)-2-heptoxynaphthalene (PubChem CID 43505662) has the molecular formula C18H23ClO and a molecular weight of 290.83 g/mol. Its IUPAC name is 1-(chloromethyl)-2-heptoxynaphthalene.

Molecular Properties

Compound Name1-(chloromethyl)-2-heptoxynaphthalene
PubChem CID43505662
Molecular FormulaC18H23ClO
Molecular Weight290.83 g/mol
Exact Mass290.14
IUPAC Name1-(chloromethyl)-2-heptoxynaphthalene
SMILESCCCCCCCOc1ccc2ccccc2c1CCl
InChIInChI=1S/C18H23ClO/c1-2-3-4-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19/h6-7,9-12H,2-5,8,13-14H2,1H3
InChIKeyZUSMMJNJQXMVLU-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.83
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-(4-methoxybutoxy)naphthalene
CID 104648105
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-bromo-2-nonoxynaphthalene
CID 63529773
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
1,4-didodecoxynaphthalene
CID 21304164
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
1-(chloromethyl)-2-(4,4,4-trifluorobutoxy)naphthalene
CID 115514409
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
1-ethyl-2-propoxynaphthalene
CID 129259410

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-heptoxynaphthalene?
The IUPAC name of 1-(chloromethyl)-2-heptoxynaphthalene (CID 43505662) is 1-(chloromethyl)-2-heptoxynaphthalene.
What is the SMILES notation for 1-(chloromethyl)-2-heptoxynaphthalene?
The canonical SMILES for 1-(chloromethyl)-2-heptoxynaphthalene is CCCCCCCOc1ccc2ccccc2c1CCl.
What is the InChIKey of 1-(chloromethyl)-2-heptoxynaphthalene?
The InChIKey is ZUSMMJNJQXMVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClO/c1-2-3-4-5-8-13-20-18-12-11-15-9-6-7-10-16(15)17(18)14-19/h6-7,9-12H,2-5,8,13-14H2,1H3.
What are the key properties of 1-(chloromethyl)-2-heptoxynaphthalene?
1-(chloromethyl)-2-heptoxynaphthalene has a molecular weight of 290.83 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-heptoxynaphthalene is sourced from PubChem (CID 43505662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).