7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

C14H17BrO2 — CID 114714735

IUPAC7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCC1CCC2(C1)CC(O)c1ccc(Br)cc1O2
InChIInChI=1S/C14H17BrO2/c1-9-4-5-14(7-9)8-12(16)11-3-2-10(15)6-13(11)17-14/h2-3,6,9,12,16H,4-5,7-8H2,1H3
InChIKeyJZVFHFAOSBAKKC-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.82
Rot. Bonds

About 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (PubChem CID 114714735) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
PubChem CID114714735
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCC1CCC2(C1)CC(O)c1ccc(Br)cc1O2
InChIInChI=1S/C14H17BrO2/c1-9-4-5-14(7-9)8-12(16)11-3-2-10(15)6-13(11)17-14/h2-3,6,9,12,16H,4-5,7-8H2,1H3
InChIKeyJZVFHFAOSBAKKC-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (CID 114714735) is 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is CC1CCC2(C1)CC(O)c1ccc(Br)cc1O2.
What is the InChIKey of 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The InChIKey is JZVFHFAOSBAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-9-4-5-14(7-9)8-12(16)11-3-2-10(15)6-13(11)17-14/h2-3,6,9,12,16H,4-5,7-8H2,1H3.
What are the key properties of 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol has a molecular weight of 297.19 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 114714735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).