1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol

C16H15BrClFO2 — CID 82788489

IUPAC1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cccc(Cl)c2F)cc1Br
InChIInChI=1S/C16H15BrClFO2/c1-21-15-6-5-10(8-13(15)17)7-12(20)9-11-3-2-4-14(18)16(11)19/h2-6,8,12,20H,7,9H2,1H3
InChIKeyOINVLLGCPGQINW-UHFFFAOYSA-N
MW373.65 g/mol
LogP4.40
Rot. Bonds5

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

1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol (PubChem CID 82788489) has the molecular formula C16H15BrClFO2 and a molecular weight of 373.65 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
PubChem CID82788489
Molecular FormulaC16H15BrClFO2
Molecular Weight373.65 g/mol
Exact Mass371.99
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cccc(Cl)c2F)cc1Br
InChIInChI=1S/C16H15BrClFO2/c1-21-15-6-5-10(8-13(15)17)7-12(20)9-11-3-2-4-14(18)16(11)19/h2-6,8,12,20H,7,9H2,1H3
InChIKeyOINVLLGCPGQINW-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039694
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 82802408
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 115818010
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloro-2-fluoroaniline
CID 43231721
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 104793575

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol (CID 82788489) is 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol is COc1ccc(CC(O)Cc2cccc(Cl)c2F)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol?
The InChIKey is OINVLLGCPGQINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO2/c1-21-15-6-5-10(8-13(15)17)7-12(20)9-11-3-2-4-14(18)16(11)19/h2-6,8,12,20H,7,9H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol?
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol has a molecular weight of 373.65 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 82788489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).