2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one

C17H14Cl2O2 — CID 146458784

IUPAC2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one
SMILESO=C1CCC1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2O2/c18-13-5-1-11(2-6-13)17(21,15-9-10-16(15)20)12-3-7-14(19)8-4-12/h1-8,15,21H,9-10H2
InChIKeyCULWUSVYUOZJKS-UHFFFAOYSA-N
MW321.20 g/mol
LogP4.21
Rot. Bonds3

About 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one

2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one (PubChem CID 146458784) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one
PubChem CID146458784
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one
SMILESO=C1CCC1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2O2/c18-13-5-1-11(2-6-13)17(21,15-9-10-16(15)20)12-3-7-14(19)8-4-12/h1-8,15,21H,9-10H2
InChIKeyCULWUSVYUOZJKS-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanone, 2-(p-chloro-alpha-hydroxybenzyl)-
CID 3045878
(5R)-5-(4-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]cyclohex-2-en-1-one
CID 44143791
7-(2-Chlorophenyl)-1-hydroxy-1,1-diphenylheptane-3,5-dione
CID 276495
4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid
CID 32110
1-[6,6-Bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872229
3-(4-Chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one
CID 71505831
1-(4-Chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one
CID 71505978
5-(4-Chlorophenyl)-4,4,6,6,6-pentafluoro-5-hydroxy-1-phenylhexan-3-one
CID 71506172
(4S)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one
CID 101891993
(5R)-5-(4-chlorophenyl)-6,6,6-trifluoro-5-hydroxyhexan-3-one
CID 101891995
(4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one
CID 135042892
(4S)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one
CID 139121259

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one?
The IUPAC name of 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one (CID 146458784) is 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one.
What is the SMILES notation for 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one?
The canonical SMILES for 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one is O=C1CCC1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one?
The InChIKey is CULWUSVYUOZJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c18-13-5-1-11(2-6-13)17(21,15-9-10-16(15)20)12-3-7-14(19)8-4-12/h1-8,15,21H,9-10H2.
What are the key properties of 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one?
2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one has a molecular weight of 321.20 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)-hydroxymethyl]cyclobutan-1-one is sourced from PubChem (CID 146458784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).