2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol

C19H23BrO — CID 66058873

IUPAC2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(CC(CO)Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C19H23BrO/c1-13-7-14(2)19(15(3)8-13)11-17(12-21)9-16-5-4-6-18(20)10-16/h4-8,10,17,21H,9,11-12H2,1-3H3
InChIKeyHKWTWNJGPSHJRR-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.77
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol

2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 66058873) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID66058873
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(CC(CO)Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C19H23BrO/c1-13-7-14(2)19(15(3)8-13)11-17(12-21)9-16-5-4-6-18(20)10-16/h4-8,10,17,21H,9,11-12H2,1-3H3
InChIKeyHKWTWNJGPSHJRR-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-6-methylheptan-1-ol
CID 83168879
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol
CID 66059500
2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292
2-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 66057828
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
CID 104813182
2-[(3-bromophenyl)methyl]-4-ethoxybutan-1-ol
CID 66058870
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol (CID 66058873) is 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(CC(CO)Cc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is HKWTWNJGPSHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-13-7-14(2)19(15(3)8-13)11-17(12-21)9-16-5-4-6-18(20)10-16/h4-8,10,17,21H,9,11-12H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol?
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 347.30 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 66058873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).