2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol

C14H14Br2OS — CID 66057797

IUPAC2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C14H14Br2OS/c15-12-3-1-10(2-4-12)5-11(8-17)6-14-7-13(16)9-18-14/h1-4,7,9,11,17H,5-6,8H2
InChIKeyBTEXQMAPMHZYNL-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.67
Rot. Bonds5

About 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol

2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol (PubChem CID 66057797) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
PubChem CID66057797
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C14H14Br2OS/c15-12-3-1-10(2-4-12)5-11(8-17)6-14-7-13(16)9-18-14/h1-4,7,9,11,17H,5-6,8H2
InChIKeyBTEXQMAPMHZYNL-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 66059833
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66037859
2-[(4-bromothiophen-2-yl)methyl]-4-methylpentan-1-ol
CID 66059169
2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63496906
2-[(4-bromophenyl)methyl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
CID 89289925
2-[(4-bromophenyl)methyl]hexan-1-ol
CID 66059467
2-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 66060745
3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol
CID 79437398
4-bromo-2-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79434241
2-[(4-bromothiophen-2-yl)methyl]butan-1-amine
CID 62503815
tert-butyl (3R)-3-[(4-bromophenyl)methyl]-4-hydroxybutanoate
CID 157153088
[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197753

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol (CID 66057797) is 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol is OCC(Cc1ccc(Br)cc1)Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol?
The InChIKey is BTEXQMAPMHZYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c15-12-3-1-10(2-4-12)5-11(8-17)6-14-7-13(16)9-18-14/h1-4,7,9,11,17H,5-6,8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol?
2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol has a molecular weight of 390.14 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 66057797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).