5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol

C19H19BrO — CID 170649213

IUPAC5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol
SMILESOc1ccc2c(c1)CCC1(CCC1)C2c1ccc(Br)cc1
InChIInChI=1S/C19H19BrO/c20-15-4-2-13(3-5-15)18-17-7-6-16(21)12-14(17)8-11-19(18)9-1-10-19/h2-7,12,18,21H,1,8-11H2
InChIKeyCFICYBVOWIKBAH-UHFFFAOYSA-N
MW343.26 g/mol
LogP5.40
Rot. Bonds1

About 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol

5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol (PubChem CID 170649213) has the molecular formula C19H19BrO and a molecular weight of 343.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol.

Molecular Properties

Compound Name5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol
PubChem CID170649213
Molecular FormulaC19H19BrO
Molecular Weight343.26 g/mol
Exact Mass342.06
IUPAC Name5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol
SMILESOc1ccc2c(c1)CCC1(CCC1)C2c1ccc(Br)cc1
InChIInChI=1S/C19H19BrO/c20-15-4-2-13(3-5-15)18-17-7-6-16(21)12-14(17)8-11-19(18)9-1-10-19/h2-7,12,18,21H,1,8-11H2
InChIKeyCFICYBVOWIKBAH-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.26
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol?
The IUPAC name of 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol (CID 170649213) is 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol.
What is the SMILES notation for 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol?
The canonical SMILES for 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol is Oc1ccc2c(c1)CCC1(CCC1)C2c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol?
The InChIKey is CFICYBVOWIKBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO/c20-15-4-2-13(3-5-15)18-17-7-6-16(21)12-14(17)8-11-19(18)9-1-10-19/h2-7,12,18,21H,1,8-11H2.
What are the key properties of 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol?
5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol has a molecular weight of 343.26 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclobutane]-2-ol is sourced from PubChem (CID 170649213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).