1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene

C19H23Cl — CID 63461697

IUPAC1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
SMILESCCC1CCC(Cl)C(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H23Cl/c1-2-14-10-11-19(20)17(12-14)13-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,14,17,19H,2,10-13H2,1H3
InChIKeyCTXNBOYKFTVJCO-UHFFFAOYSA-N
MW286.85 g/mol
LogP5.82
Rot. Bonds3

About 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene

1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene (PubChem CID 63461697) has the molecular formula C19H23Cl and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
PubChem CID63461697
Molecular FormulaC19H23Cl
Molecular Weight286.85 g/mol
Exact Mass286.15
IUPAC Name1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
SMILESCCC1CCC(Cl)C(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H23Cl/c1-2-14-10-11-19(20)17(12-14)13-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,14,17,19H,2,10-13H2,1H3
InChIKeyCTXNBOYKFTVJCO-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.85
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene
CID 63461163
1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461866
1-[(2-methylcyclohexyl)methyl]naphthalene
CID 91507555
4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
CID 79424258
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
CID 107307078
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715
1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene
CID 64907962
1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluoro-3-nitrobenzene
CID 107350544
1-ethylnaphthalene;methylcyclopropane
CID 142069670

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene?
The IUPAC name of 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene (CID 63461697) is 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene.
What is the SMILES notation for 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene?
The canonical SMILES for 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene is CCC1CCC(Cl)C(Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene?
The InChIKey is CTXNBOYKFTVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl/c1-2-14-10-11-19(20)17(12-14)13-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,14,17,19H,2,10-13H2,1H3.
What are the key properties of 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene?
1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene has a molecular weight of 286.85 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene is sourced from PubChem (CID 63461697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).