7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C18H25BrO — CID 19694963

IUPAC7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC1(C)CCC(OC2CCCCC2)c2cc(Br)ccc21
InChIInChI=1S/C18H25BrO/c1-18(2)11-10-17(20-14-6-4-3-5-7-14)15-12-13(19)8-9-16(15)18/h8-9,12,14,17H,3-7,10-11H2,1-2H3
InChIKeyICJORFHCQXPJHZ-UHFFFAOYSA-N
MW337.30 g/mol
LogP5.91
Rot. Bonds2

About 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene

7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 19694963) has the molecular formula C18H25BrO and a molecular weight of 337.30 g/mol. Its IUPAC name is 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID19694963
Molecular FormulaC18H25BrO
Molecular Weight337.30 g/mol
Exact Mass336.11
IUPAC Name7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC1(C)CCC(OC2CCCCC2)c2cc(Br)ccc21
InChIInChI=1S/C18H25BrO/c1-18(2)11-10-17(20-14-6-4-3-5-7-14)15-12-13(19)8-9-16(15)18/h8-9,12,14,17H,3-7,10-11H2,1-2H3
InChIKeyICJORFHCQXPJHZ-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.30
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 19694963) is 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene is CC1(C)CCC(OC2CCCCC2)c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is ICJORFHCQXPJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrO/c1-18(2)11-10-17(20-14-6-4-3-5-7-14)15-12-13(19)8-9-16(15)18/h8-9,12,14,17H,3-7,10-11H2,1-2H3.
What are the key properties of 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 337.30 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclohexyloxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 19694963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).