1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol

C14H19BrOS — CID 105077414

IUPAC1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
SMILESOC(Cc1ccc(Br)cc1)CC1CCSCC1
InChIInChI=1S/C14H19BrOS/c15-13-3-1-11(2-4-13)9-14(16)10-12-5-7-17-8-6-12/h1-4,12,14,16H,5-10H2
InChIKeyVXDSSBWUXUIEHH-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol

1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol (PubChem CID 105077414) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
PubChem CID105077414
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
SMILESOC(Cc1ccc(Br)cc1)CC1CCSCC1
InChIInChI=1S/C14H19BrOS/c15-13-3-1-11(2-4-13)9-14(16)10-12-5-7-17-8-6-12/h1-4,12,14,16H,5-10H2
InChIKeyVXDSSBWUXUIEHH-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457
1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol
CID 103157168
1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 60798546
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870
1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 107312531
1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105131232
1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
CID 83150733
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602
1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene
CID 104819632
1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol
CID 105097810

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol (CID 105077414) is 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol is OC(Cc1ccc(Br)cc1)CC1CCSCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol?
The InChIKey is VXDSSBWUXUIEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c15-13-3-1-11(2-4-13)9-14(16)10-12-5-7-17-8-6-12/h1-4,12,14,16H,5-10H2.
What are the key properties of 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol?
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol has a molecular weight of 315.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol is sourced from PubChem (CID 105077414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).