7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane

C20H27BrO — CID 144562269

IUPAC7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane
SMILESCC.Cc1c(OC2CCC(C)CC2)ccc2ccc(Br)cc12
InChIInChI=1S/C18H21BrO.C2H6/c1-12-3-8-16(9-4-12)20-18-10-6-14-5-7-15(19)11-17(14)13(18)2;1-2/h5-7,10-12,16H,3-4,8-9H2,1-2H3;1-2H3
InChIKeyMDTOTUVZRMIFQD-UHFFFAOYSA-N
MW363.34 g/mol
LogP6.89
Rot. Bonds2

About 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane

7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane (PubChem CID 144562269) has the molecular formula C20H27BrO and a molecular weight of 363.34 g/mol. Its IUPAC name is 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane.

Molecular Properties

Compound Name7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane
PubChem CID144562269
Molecular FormulaC20H27BrO
Molecular Weight363.34 g/mol
Exact Mass362.12
IUPAC Name7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane
SMILESCC.Cc1c(OC2CCC(C)CC2)ccc2ccc(Br)cc12
InChIInChI=1S/C18H21BrO.C2H6/c1-12-3-8-16(9-4-12)20-18-10-6-14-5-7-15(19)11-17(14)13(18)2;1-2/h5-7,10-12,16H,3-4,8-9H2,1-2H3;1-2H3
InChIKeyMDTOTUVZRMIFQD-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.34
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene
CID 123862980
4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene
CID 107283955
5-bromo-2-(4-methylcyclohexyl)oxybenzenesulfonyl chloride
CID 64747891
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
7-(2-bromoethyl)-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene
CID 90027600
4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114904230
5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
CID 64750283
[2-(4-methylcyclohexyl)oxynaphthalen-1-yl]methanol
CID 64748926
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736
1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene
CID 64747332
2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
CID 141397913
2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
CID 15701095

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane?
The IUPAC name of 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane (CID 144562269) is 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane.
What is the SMILES notation for 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane?
The canonical SMILES for 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane is CC.Cc1c(OC2CCC(C)CC2)ccc2ccc(Br)cc12.
What is the InChIKey of 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane?
The InChIKey is MDTOTUVZRMIFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO.C2H6/c1-12-3-8-16(9-4-12)20-18-10-6-14-5-7-15(19)11-17(14)13(18)2;1-2/h5-7,10-12,16H,3-4,8-9H2,1-2H3;1-2H3.
What are the key properties of 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane?
7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane has a molecular weight of 363.34 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene;ethane is sourced from PubChem (CID 144562269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).