2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol

C14H22OS — CID 116931016

IUPAC2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol
SMILESCCSc1ccc(CC(CO)C(C)C)cc1
InChIInChI=1S/C14H22OS/c1-4-16-14-7-5-12(6-8-14)9-13(10-15)11(2)3/h5-8,11,13,15H,4,9-10H2,1-3H3
InChIKeyRUGWPTAOWCGUNR-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.61
Rot. Bonds6

About 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol

2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol (PubChem CID 116931016) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol
PubChem CID116931016
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol
SMILESCCSc1ccc(CC(CO)C(C)C)cc1
InChIInChI=1S/C14H22OS/c1-4-16-14-7-5-12(6-8-14)9-13(10-15)11(2)3/h5-8,11,13,15H,4,9-10H2,1-3H3
InChIKeyRUGWPTAOWCGUNR-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol
CID 83935827
2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252075
1-(4-ethylsulfanylphenyl)butan-2-ol
CID 91658585
1-ethylsulfanyl-4-(2-methylbut-3-ynyl)benzene
CID 83935870
2-[1-(4-ethylsulfanylphenyl)propan-2-yl]-3-methyloxirane
CID 83935899
2-[(4-ethylsulfanylphenyl)methyl]butan-1-amine
CID 116930905
2-[(4-ethylsulfanylphenyl)methyl]-3-oxobutanoic acid
CID 141061743
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
CID 116959909
(4-ethylsulfanylphenyl)methanamine
CID 12842467
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol (CID 116931016) is 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol is CCSc1ccc(CC(CO)C(C)C)cc1.
What is the InChIKey of 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is RUGWPTAOWCGUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-4-16-14-7-5-12(6-8-14)9-13(10-15)11(2)3/h5-8,11,13,15H,4,9-10H2,1-3H3.
What are the key properties of 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol?
2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 238.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116931016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).