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

C16H15BrO2 — CID 114714730

IUPAC7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc(C2CC(O)c3ccc(Br)cc3O2)c1
InChIInChI=1S/C16H15BrO2/c1-10-3-2-4-11(7-10)15-9-14(18)13-6-5-12(17)8-16(13)19-15/h2-8,14-15,18H,9H2,1H3
InChIKeySBVPGXTUVBXCBI-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.31
Rot. Bonds1

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

7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714730) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714730
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc(C2CC(O)c3ccc(Br)cc3O2)c1
InChIInChI=1S/C16H15BrO2/c1-10-3-2-4-11(7-10)15-9-14(18)13-6-5-12(17)8-16(13)19-15/h2-8,14-15,18H,9H2,1H3
InChIKeySBVPGXTUVBXCBI-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(4S)-7-bromo-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404379
(4S)-7-bromo-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949593
(4S)-6-bromo-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951129
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106534714
7-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714674
7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714801
(4R)-7-bromo-2-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104949397
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714730) is 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is Cc1cccc(C2CC(O)c3ccc(Br)cc3O2)c1.
What is the InChIKey of 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SBVPGXTUVBXCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-10-3-2-4-11(7-10)15-9-14(18)13-6-5-12(17)8-16(13)19-15/h2-8,14-15,18H,9H2,1H3.
What are the key properties of 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 319.20 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).