(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone

C16H15ClOS — CID 18779865

IUPAC(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone
SMILESCC(C)(S)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClOS/c1-16(2,19)13-7-3-11(4-8-13)15(18)12-5-9-14(17)10-6-12/h3-10,19H,1-2H3
InChIKeyHFTBFIFVRPJDJH-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.74
Rot. Bonds3

About (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone

(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone (PubChem CID 18779865) has the molecular formula C16H15ClOS and a molecular weight of 290.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone
PubChem CID18779865
Molecular FormulaC16H15ClOS
Molecular Weight290.82 g/mol
Exact Mass290.05
IUPAC Name(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone
SMILESCC(C)(S)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClOS/c1-16(2,19)13-7-3-11(4-8-13)15(18)12-5-9-14(17)10-6-12/h3-10,19H,1-2H3
InChIKeyHFTBFIFVRPJDJH-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanal
CID 87686722
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
CID 19689380
(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 115565891
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
1-[4-[4-(2-sulfanylpropan-2-yl)phenoxy]phenyl]ethanone
CID 143560267
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629
4-chloro(13C)benzoic acid
CID 66995527
4-chlorobenzoic acid;fluoromethane
CID 174932068
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone (CID 18779865) is (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone is CC(C)(S)c1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone?
The InChIKey is HFTBFIFVRPJDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c1-16(2,19)13-7-3-11(4-8-13)15(18)12-5-9-14(17)10-6-12/h3-10,19H,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone?
(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone has a molecular weight of 290.82 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone is sourced from PubChem (CID 18779865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).