2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol

C12H17ClO2S — CID 116852303

IUPAC2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCCOc1ccc(SC(C)(C)CO)cc1Cl
InChIInChI=1S/C12H17ClO2S/c1-4-15-11-6-5-9(7-10(11)13)16-12(2,3)8-14/h5-7,14H,4,8H2,1-3H3
InChIKeyRGSHGZDAMBNUGN-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol

2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 116852303) has the molecular formula C12H17ClO2S and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID116852303
Molecular FormulaC12H17ClO2S
Molecular Weight260.79 g/mol
Exact Mass260.06
IUPAC Name2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCCOc1ccc(SC(C)(C)CO)cc1Cl
InChIInChI=1S/C12H17ClO2S/c1-4-15-11-6-5-9(7-10(11)13)16-12(2,3)8-14/h5-7,14H,4,8H2,1-3H3
InChIKeyRGSHGZDAMBNUGN-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852264
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853482
2-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene
CID 57051118
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
[1-[(3-chloro-4-ethoxyanilino)methyl]cyclopropyl]methanol
CID 115243228
3-chloro-4-ethoxy-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 60944153
2-(3-amino-4-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 130731567
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol (CID 116852303) is 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol is CCOc1ccc(SC(C)(C)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is RGSHGZDAMBNUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2S/c1-4-15-11-6-5-9(7-10(11)13)16-12(2,3)8-14/h5-7,14H,4,8H2,1-3H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol?
2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 260.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 116852303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).