7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol

C18H19BrO2 — CID 114714792

IUPAC7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(CC1CC(O)c2ccc(Br)cc2O1)c1ccccc1
InChIInChI=1S/C18H19BrO2/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17,20H,9,11H2,1H3
InChIKeyKUCSTVOGVVRUMF-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.83
Rot. Bonds3

About 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol

7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714792) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714792
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(CC1CC(O)c2ccc(Br)cc2O1)c1ccccc1
InChIInChI=1S/C18H19BrO2/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17,20H,9,11H2,1H3
InChIKeyKUCSTVOGVVRUMF-UHFFFAOYSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951956
(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949968
6-methyl-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715231
6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715630
7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
(4R)-7-bromo-2-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104949397
7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714790
7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714801
(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714756
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714730
(4S)-7-bromo-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404379

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714792) is 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol is CC(CC1CC(O)c2ccc(Br)cc2O1)c1ccccc1.
What is the InChIKey of 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KUCSTVOGVVRUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-12(13-5-3-2-4-6-13)9-15-11-17(20)16-8-7-14(19)10-18(16)21-15/h2-8,10,12,15,17,20H,9,11H2,1H3.
What are the key properties of 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol?
7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 347.25 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).