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

C16H15ClO2 — CID 10934656

IUPAC(4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone
SMILESCC(C)(O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2/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
InChIKeyXDHYHJRKXJFCBM-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.80
Rot. Bonds3

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

(4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone (PubChem CID 10934656) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone
PubChem CID10934656
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone
SMILESCC(C)(O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO2/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
InChIKeyXDHYHJRKXJFCBM-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone (CID 10934656) is (4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone is CC(C)(O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone?
The InChIKey is XDHYHJRKXJFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/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-hydroxypropan-2-yl)phenyl]methanone?
(4-chlorophenyl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone has a molecular weight of 274.75 g/mol, XLogP of 3.80, 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-hydroxypropan-2-yl)phenyl]methanone is sourced from PubChem (CID 10934656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).