3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol

C16H16Br2O2 — CID 79454756

IUPAC3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
SMILESCOc1ccc(CC(CO)c2ccccc2Br)cc1Br
InChIInChI=1S/C16H16Br2O2/c1-20-16-7-6-11(9-15(16)18)8-12(10-19)13-4-2-3-5-14(13)17/h2-7,9,12,19H,8,10H2,1H3
InChIKeyKITUGMDHIXPEKC-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.54
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol

3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol (PubChem CID 79454756) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
PubChem CID79454756
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
SMILESCOc1ccc(CC(CO)c2ccccc2Br)cc1Br
InChIInChI=1S/C16H16Br2O2/c1-20-16-7-6-11(9-15(16)18)8-12(10-19)13-4-2-3-5-14(13)17/h2-7,9,12,19H,8,10H2,1H3
InChIKeyKITUGMDHIXPEKC-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 79449548
3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 79454053
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 107895001
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 79432256
1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 106645022

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol (CID 79454756) is 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol is COc1ccc(CC(CO)c2ccccc2Br)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol?
The InChIKey is KITUGMDHIXPEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-20-16-7-6-11(9-15(16)18)8-12(10-19)13-4-2-3-5-14(13)17/h2-7,9,12,19H,8,10H2,1H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol?
3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol has a molecular weight of 400.11 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol is sourced from PubChem (CID 79454756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).