(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol

C15H15ClOS — CID 106848301

IUPAC(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
SMILESCCSc1ccc(C(O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15,17H,2H2,1H3
InChIKeyFTQGHLJTONAJLO-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.53
Rot. Bonds4

About (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol

(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol (PubChem CID 106848301) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
PubChem CID106848301
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
SMILESCCSc1ccc(C(O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15,17H,2H2,1H3
InChIKeyFTQGHLJTONAJLO-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol
CID 114980455
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 106848363
(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
CID 106848268
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol
CID 97292959
2-(3-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanol
CID 106848185

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol?
The IUPAC name of (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol (CID 106848301) is (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol?
The canonical SMILES for (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol is CCSc1ccc(C(O)c2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol?
The InChIKey is FTQGHLJTONAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15,17H,2H2,1H3.
What are the key properties of (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol?
(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol has a molecular weight of 278.80 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol is sourced from PubChem (CID 106848301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).