3-(4-benzylsulfanylphenyl)propan-1-ol

C16H18OS — CID 156821984

IUPAC3-(4-benzylsulfanylphenyl)propan-1-ol
SMILESOCCCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C16H18OS/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyPAPUSSVPSBFRLS-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.90
Rot. Bonds6

About 3-(4-benzylsulfanylphenyl)propan-1-ol

3-(4-benzylsulfanylphenyl)propan-1-ol (PubChem CID 156821984) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-(4-benzylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-benzylsulfanylphenyl)propan-1-ol
PubChem CID156821984
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name3-(4-benzylsulfanylphenyl)propan-1-ol
SMILESOCCCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C16H18OS/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyPAPUSSVPSBFRLS-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573271
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
isocyanic acid;3-phenylpropan-1-ol
CID 174947619
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
1-benzylsulfanyl-4-methylbenzene
CID 10940369
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
3-(4-benzylsulfanylphenyl)prop-1-en-2-amine
CID 166885881
cyanamide;3-phenylpropan-1-ol
CID 174483450
2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol
CID 71676990
4-(3-phenylpropylsulfanyl)benzoic acid
CID 22487003
1,4-bis(3-phenylpropyl)benzene
CID 59467322

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-(4-benzylsulfanylphenyl)propan-1-ol (CID 156821984) is 3-(4-benzylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-benzylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-benzylsulfanylphenyl)propan-1-ol is OCCCc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of 3-(4-benzylsulfanylphenyl)propan-1-ol?
The InChIKey is PAPUSSVPSBFRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2.
What are the key properties of 3-(4-benzylsulfanylphenyl)propan-1-ol?
3-(4-benzylsulfanylphenyl)propan-1-ol has a molecular weight of 258.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 156821984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).