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

C16H16BrClO2 — CID 79454053

IUPAC3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
SMILESCOc1ccc(CC(CO)c2ccccc2Cl)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-20-16-7-6-11(9-14(16)17)8-12(10-19)13-4-2-3-5-15(13)18/h2-7,9,12,19H,8,10H2,1H3
InChIKeyWWPXINSBHJVPMY-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.43
Rot. Bonds5

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

3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol (PubChem CID 79454053) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
PubChem CID79454053
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
SMILESCOc1ccc(CC(CO)c2ccccc2Cl)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-20-16-7-6-11(9-14(16)17)8-12(10-19)13-4-2-3-5-15(13)18/h2-7,9,12,19H,8,10H2,1H3
InChIKeyWWPXINSBHJVPMY-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
CID 79454756
3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 79449548
N-[(3-bromo-4-methoxyphenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63458841
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 79432256
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 115818010
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 107895001

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol (CID 79454053) is 3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol is COc1ccc(CC(CO)c2ccccc2Cl)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol?
The InChIKey is WWPXINSBHJVPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-20-16-7-6-11(9-14(16)17)8-12(10-19)13-4-2-3-5-15(13)18/h2-7,9,12,19H,8,10H2,1H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol?
3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol has a molecular weight of 355.66 g/mol, XLogP of 4.43, 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-chlorophenyl)propan-1-ol is sourced from PubChem (CID 79454053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).