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

C18H17BrO2 — CID 114714801

IUPAC7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccccc2C2CC2)Oc2cc(Br)ccc21
InChIInChI=1S/C18H17BrO2/c19-12-7-8-15-16(20)10-18(21-17(15)9-12)14-4-2-1-3-13(14)11-5-6-11/h1-4,7-9,11,16,18,20H,5-6,10H2
InChIKeyIOCAWODIKULFMZ-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.88
Rot. Bonds2

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

7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714801) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714801
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccccc2C2CC2)Oc2cc(Br)ccc21
InChIInChI=1S/C18H17BrO2/c19-12-7-8-15-16(20)10-18(21-17(15)9-12)14-4-2-1-3-13(14)11-5-6-11/h1-4,7-9,11,16,18,20H,5-6,10H2
InChIKeyIOCAWODIKULFMZ-UHFFFAOYSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714756
2-(1-benzothiophen-3-yl)-7-bromo-3,4-dihydro-2H-chromen-4-ol
CID 114714624
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714730
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106534714
(4R)-7-bromo-2-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104949397
(4S)-7-bromo-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 102846006
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
(4S)-7-bromo-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404379
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
7-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714674
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714801) is 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2ccccc2C2CC2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is IOCAWODIKULFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c19-12-7-8-15-16(20)10-18(21-17(15)9-12)14-4-2-1-3-13(14)11-5-6-11/h1-4,7-9,11,16,18,20H,5-6,10H2.
What are the key properties of 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 345.24 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).