1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol

C14H19BrOS — CID 66145491

IUPAC1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
SMILESOC(CSc1cccc(Br)c1)CC1CCCC1
InChIInChI=1S/C14H19BrOS/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10H2
InChIKeyIVJRKJCSRLNMSE-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.48
Rot. Bonds5

About 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol

1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol (PubChem CID 66145491) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
PubChem CID66145491
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
SMILESOC(CSc1cccc(Br)c1)CC1CCCC1
InChIInChI=1S/C14H19BrOS/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10H2
InChIKeyIVJRKJCSRLNMSE-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161079
1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158833
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66418784
1-(3-bromophenyl)sulfanylpent-4-en-2-ol
CID 66159404
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 63987420
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol (CID 66145491) is 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol is OC(CSc1cccc(Br)c1)CC1CCCC1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The InChIKey is IVJRKJCSRLNMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol has a molecular weight of 315.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 66145491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).