1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene

C19H23BrO — CID 64750095

IUPAC1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene
SMILESCCC1CCC(Oc2ccc3ccccc3c2CBr)CC1
InChIInChI=1S/C19H23BrO/c1-2-14-7-10-16(11-8-14)21-19-12-9-15-5-3-4-6-17(15)18(19)13-20/h3-6,9,12,14,16H,2,7-8,10-11,13H2,1H3
InChIKeyBSOBOSOKFBFCBI-UHFFFAOYSA-N
MW347.30 g/mol
LogP6.08
Rot. Bonds4

About 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene

1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene (PubChem CID 64750095) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene
PubChem CID64750095
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene
SMILESCCC1CCC(Oc2ccc3ccccc3c2CBr)CC1
InChIInChI=1S/C19H23BrO/c1-2-14-7-10-16(11-8-14)21-19-12-9-15-5-3-4-6-17(15)18(19)13-20/h3-6,9,12,14,16H,2,7-8,10-11,13H2,1H3
InChIKeyBSOBOSOKFBFCBI-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64747702
[2-(4-methylcyclohexyl)oxynaphthalen-1-yl]methanol
CID 64748926
2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748532
1-(4-ethylcyclohexyl)oxy-2-iodobenzene
CID 64747905
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
(2-cyclohexyloxynaphthalen-1-yl)methanol
CID 43505781
4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748536
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
1-(bromomethyl)-2-phenoxynaphthalene
CID 142635993
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene
CID 64747945
1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine
CID 64750411

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene?
The IUPAC name of 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene (CID 64750095) is 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene.
What is the SMILES notation for 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene?
The canonical SMILES for 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene is CCC1CCC(Oc2ccc3ccccc3c2CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene?
The InChIKey is BSOBOSOKFBFCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-2-14-7-10-16(11-8-14)21-19-12-9-15-5-3-4-6-17(15)18(19)13-20/h3-6,9,12,14,16H,2,7-8,10-11,13H2,1H3.
What are the key properties of 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene?
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene has a molecular weight of 347.30 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene is sourced from PubChem (CID 64750095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).