4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol

C14H22OS — CID 79223402

IUPAC4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
SMILESCC(C)CC(CO)CCSc1ccccc1
InChIInChI=1S/C14H22OS/c1-12(2)10-13(11-15)8-9-16-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyNITGOAALNKMUGY-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.82
Rot. Bonds7

About 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol

4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol (PubChem CID 79223402) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
PubChem CID79223402
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
SMILESCC(C)CC(CO)CCSc1ccccc1
InChIInChI=1S/C14H22OS/c1-12(2)10-13(11-15)8-9-16-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyNITGOAALNKMUGY-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-2-(2-phenylsulfanylethyl)pentyl]cyclopropanamine
CID 79228483
2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-ol
CID 79223637
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
2-(2-phenylsulfanylethylsulfanyl)propan-1-ol
CID 115882650
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
3-(chloromethyl)pentylsulfanylbenzene
CID 79224283
4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol
CID 79228749
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine
CID 79227368
4-methyl-6-phenylsulfanylhexan-3-one
CID 79228513
(2S)-3-methyl-2-(2-phenylsulfanylethylamino)butan-1-ol
CID 79249697
2-methyl-6-phenylsulfanylhexan-3-ol
CID 79228840

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol?
The IUPAC name of 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol (CID 79223402) is 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol is CC(C)CC(CO)CCSc1ccccc1.
What is the InChIKey of 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol?
The InChIKey is NITGOAALNKMUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-12(2)10-13(11-15)8-9-16-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol?
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol has a molecular weight of 238.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol is sourced from PubChem (CID 79223402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).