7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol

C15H17BrO2 — CID 114714617

IUPAC7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CC=CCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H17BrO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-2,6-8,10,13-14,17H,3-5,9H2
InChIKeyKAEMJVDKXBHDHI-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.99
Rot. Bonds1

About 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol

7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714617) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714617
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(C2CC=CCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H17BrO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-2,6-8,10,13-14,17H,3-5,9H2
InChIKeyKAEMJVDKXBHDHI-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 104951328
7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711641
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
CID 104951380
(4R)-7-bromo-2-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104949397
(4S)-6-bromo-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951316
(4S)-6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951252
6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715586
7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714801
(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
CID 104945810
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914
(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
CID 104945742

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol (CID 114714617) is 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol is OC1CC(C2CC=CCC2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KAEMJVDKXBHDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-2,6-8,10,13-14,17H,3-5,9H2.
What are the key properties of 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol?
7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 309.20 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).