1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol

C18H19BrO2 — CID 115831877

IUPAC1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESCc1ccc(Br)cc1C(O)CC1CCOc2ccccc21
InChIInChI=1S/C18H19BrO2/c1-12-6-7-14(19)11-16(12)17(20)10-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,11,13,17,20H,8-10H2,1H3
InChIKeyHNCKKAZZLHLVFB-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.75
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol

1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol (PubChem CID 115831877) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
PubChem CID115831877
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESCc1ccc(Br)cc1C(O)CC1CCOc2ccccc21
InChIInChI=1S/C18H19BrO2/c1-12-6-7-14(19)11-16(12)17(20)10-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,11,13,17,20H,8-10H2,1H3
InChIKeyHNCKKAZZLHLVFB-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 104769984
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 105034258
1-(4,5-dibromothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831962
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
1-(3-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798807
[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105198169
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxypropan-2-ol
CID 104770040

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol (CID 115831877) is 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol is Cc1ccc(Br)cc1C(O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The InChIKey is HNCKKAZZLHLVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-12-6-7-14(19)11-16(12)17(20)10-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,11,13,17,20H,8-10H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol?
1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol has a molecular weight of 347.25 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol is sourced from PubChem (CID 115831877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).