7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol

C14H19BrO2 — CID 114714790

IUPAC7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCC(C)C1CC(O)c2ccc(Br)cc2O1
InChIInChI=1S/C14H19BrO2/c1-3-4-9(2)13-8-12(16)11-6-5-10(15)7-14(11)17-13/h5-7,9,12-13,16H,3-4,8H2,1-2H3
InChIKeySRMPZMHIHZALGP-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.07
Rot. Bonds3

About 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol

7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714790) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714790
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCC(C)C1CC(O)c2ccc(Br)cc2O1
InChIInChI=1S/C14H19BrO2/c1-3-4-9(2)13-8-12(16)11-6-5-10(15)7-14(11)17-13/h5-7,9,12-13,16H,3-4,8H2,1-2H3
InChIKeySRMPZMHIHZALGP-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol (CID 114714790) is 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol is CCCC(C)C1CC(O)c2ccc(Br)cc2O1.
What is the InChIKey of 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SRMPZMHIHZALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-3-4-9(2)13-8-12(16)11-6-5-10(15)7-14(11)17-13/h5-7,9,12-13,16H,3-4,8H2,1-2H3.
What are the key properties of 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol?
7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 299.21 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).