(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol

C12H15ClOS — CID 105079871

IUPAC(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol
SMILESCC1(C(O)c2ccccc2Cl)CCCS1
InChIInChI=1S/C12H15ClOS/c1-12(7-4-8-15-12)11(14)9-5-2-3-6-10(9)13/h2-3,5-6,11,14H,4,7-8H2,1H3
InChIKeySTYDTVSIVRVYBB-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.66
Rot. Bonds2

About (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol

(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol (PubChem CID 105079871) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol
PubChem CID105079871
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol
SMILESCC1(C(O)c2ccccc2Cl)CCCS1
InChIInChI=1S/C12H15ClOS/c1-12(7-4-8-15-12)11(14)9-5-2-3-6-10(9)13/h2-3,5-6,11,14H,4,7-8H2,1H3
InChIKeySTYDTVSIVRVYBB-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105397588
(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105078411
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
(2-methylthiolan-2-yl)-thiophen-3-ylmethanol
CID 105102774
1-[(2-chlorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79137313
(2-chlorophenyl)-(1-phenylcyclohexyl)methanol
CID 63414657
2-(2-chlorophenyl)-1-(2-methylthiolan-2-yl)ethanone
CID 105080654
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105187005
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 79060021
[(2-ethoxyphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105304446
(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine
CID 105180756

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol (CID 105079871) is (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol is CC1(C(O)c2ccccc2Cl)CCCS1.
What is the InChIKey of (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol?
The InChIKey is STYDTVSIVRVYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c1-12(7-4-8-15-12)11(14)9-5-2-3-6-10(9)13/h2-3,5-6,11,14H,4,7-8H2,1H3.
What are the key properties of (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol?
(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol has a molecular weight of 242.77 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-methylthiolan-2-yl)methanol is sourced from PubChem (CID 105079871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).