7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]

C14H17BrO — CID 164899375

IUPAC7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]
SMILESBrc1ccc2c(c1)OC1(CCCCC1)CC2
InChIInChI=1S/C14H17BrO/c15-12-5-4-11-6-9-14(16-13(11)10-12)7-2-1-3-8-14/h4-5,10H,1-3,6-9H2
InChIKeyRXLAIHZQSQXAKS-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.48
Rot. Bonds

About 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]

7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane] (PubChem CID 164899375) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane].

Molecular Properties

Compound Name7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]
PubChem CID164899375
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]
SMILESBrc1ccc2c(c1)OC1(CCCCC1)CC2
InChIInChI=1S/C14H17BrO/c15-12-5-4-11-6-9-14(16-13(11)10-12)7-2-1-3-8-14/h4-5,10H,1-3,6-9H2
InChIKeyRXLAIHZQSQXAKS-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]?
The IUPAC name of 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane] (CID 164899375) is 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane].
What is the SMILES notation for 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]?
The canonical SMILES for 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane] is Brc1ccc2c(c1)OC1(CCCCC1)CC2.
What is the InChIKey of 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]?
The InChIKey is RXLAIHZQSQXAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c15-12-5-4-11-6-9-14(16-13(11)10-12)7-2-1-3-8-14/h4-5,10H,1-3,6-9H2.
What are the key properties of 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane]?
7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane] has a molecular weight of 281.19 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[3,4-dihydrochromene-2,1'-cyclohexane] is sourced from PubChem (CID 164899375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).