5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol

C15H24OS — CID 113474720

IUPAC5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol
SMILESCCSCCCC(CO)Cc1ccccc1C
InChIInChI=1S/C15H24OS/c1-3-17-10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3
InChIKeyGIBQOXNVTBZAHD-UHFFFAOYSA-N
MW252.42 g/mol
LogP3.68
Rot. Bonds8

About 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol

5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol (PubChem CID 113474720) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol
PubChem CID113474720
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol
SMILESCCSCCCC(CO)Cc1ccccc1C
InChIInChI=1S/C15H24OS/c1-3-17-10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3
InChIKeyGIBQOXNVTBZAHD-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
5-ethylsulfanyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 113474146
5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol
CID 113474719
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol
CID 66058675
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059722
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66060380
6-[(2-methylphenyl)methylsulfanyl]hexan-3-amine
CID 106808392
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 65096858

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol?
The IUPAC name of 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol (CID 113474720) is 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol.
What is the SMILES notation for 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol?
The canonical SMILES for 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol is CCSCCCC(CO)Cc1ccccc1C.
What is the InChIKey of 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol?
The InChIKey is GIBQOXNVTBZAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-3-17-10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol?
5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol has a molecular weight of 252.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol is sourced from PubChem (CID 113474720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).