[2-(10-chlorodecyl)phenyl]-phenylmethanone

C23H29ClO — CID 157301070

IUPAC[2-(10-chlorodecyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CCCCCCCCCCCl
InChIInChI=1S/C23H29ClO/c24-19-13-6-4-2-1-3-5-8-14-20-15-11-12-18-22(20)23(25)21-16-9-7-10-17-21/h7,9-12,15-18H,1-6,8,13-14,19H2
InChIKeyBBXDHMIFMIRWEJ-UHFFFAOYSA-N
MW356.94 g/mol
LogP6.82
Rot. Bonds12

About [2-(10-chlorodecyl)phenyl]-phenylmethanone

[2-(10-chlorodecyl)phenyl]-phenylmethanone (PubChem CID 157301070) has the molecular formula C23H29ClO and a molecular weight of 356.94 g/mol. Its IUPAC name is [2-(10-chlorodecyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(10-chlorodecyl)phenyl]-phenylmethanone
PubChem CID157301070
Molecular FormulaC23H29ClO
Molecular Weight356.94 g/mol
Exact Mass356.19
IUPAC Name[2-(10-chlorodecyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CCCCCCCCCCCl
InChIInChI=1S/C23H29ClO/c24-19-13-6-4-2-1-3-5-8-14-20-15-11-12-18-22(20)23(25)21-16-9-7-10-17-21/h7,9-12,15-18H,1-6,8,13-14,19H2
InChIKeyBBXDHMIFMIRWEJ-UHFFFAOYSA-N
XLogP6.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.94
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(2-tridecylphenyl)methanone
CID 159151783
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
(2-hexylphenyl)-(4-phenylphenyl)methanone
CID 151469512
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
2-(3-chloropropyl)benzamide
CID 135741565
phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
CID 141118396
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
2-[5-(2-carboxylatophenyl)pentyl]benzoate
CID 71439471
bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
1-(2-benzoylphenyl)-3-chloropropan-1-one
CID 172792049

Frequently Asked Questions

What is the IUPAC name of [2-(10-chlorodecyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(10-chlorodecyl)phenyl]-phenylmethanone (CID 157301070) is [2-(10-chlorodecyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(10-chlorodecyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(10-chlorodecyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1CCCCCCCCCCCl.
What is the InChIKey of [2-(10-chlorodecyl)phenyl]-phenylmethanone?
The InChIKey is BBXDHMIFMIRWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClO/c24-19-13-6-4-2-1-3-5-8-14-20-15-11-12-18-22(20)23(25)21-16-9-7-10-17-21/h7,9-12,15-18H,1-6,8,13-14,19H2.
What are the key properties of [2-(10-chlorodecyl)phenyl]-phenylmethanone?
[2-(10-chlorodecyl)phenyl]-phenylmethanone has a molecular weight of 356.94 g/mol, XLogP of 6.82, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(10-chlorodecyl)phenyl]-phenylmethanone is sourced from PubChem (CID 157301070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).