(1-chloro-2-phenylundecan-2-yl)benzene

C23H31Cl — CID 152536169

IUPAC(1-chloro-2-phenylundecan-2-yl)benzene
SMILESCCCCCCCCCC(CCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31Cl/c1-2-3-4-5-6-7-14-19-23(20-24,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18H,2-7,14,19-20H2,1H3
InChIKeyYKORUIOHSMFZCL-UHFFFAOYSA-N
MW342.95 g/mol
LogP7.35
Rot. Bonds11

About (1-chloro-2-phenylundecan-2-yl)benzene

(1-chloro-2-phenylundecan-2-yl)benzene (PubChem CID 152536169) has the molecular formula C23H31Cl and a molecular weight of 342.95 g/mol. Its IUPAC name is (1-chloro-2-phenylundecan-2-yl)benzene.

Molecular Properties

Compound Name(1-chloro-2-phenylundecan-2-yl)benzene
PubChem CID152536169
Molecular FormulaC23H31Cl
Molecular Weight342.95 g/mol
Exact Mass342.21
IUPAC Name(1-chloro-2-phenylundecan-2-yl)benzene
SMILESCCCCCCCCCC(CCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31Cl/c1-2-3-4-5-6-7-14-19-23(20-24,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18H,2-7,14,19-20H2,1H3
InChIKeyYKORUIOHSMFZCL-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.95
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

15-phenylnonacosan-15-ylbenzene
CID 141310981
3-(chloromethyl)undecan-3-ylbenzene
CID 66033821
3-(chloromethyl)dodec-1-en-3-ylbenzene
CID 157318914
1,1-diphenyldodecan-1-amine
CID 19925745
5-butylhexadecan-5-ylbenzene
CID 173084700
1,1-difluoroheptylbenzene
CID 12070547
(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
CID 21418823
1,1-diphenylhexan-1-amine
CID 20568221
2-phenyldecan-2-amine
CID 63408050
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-phenylundecan-2-yl)benzene?
The IUPAC name of (1-chloro-2-phenylundecan-2-yl)benzene (CID 152536169) is (1-chloro-2-phenylundecan-2-yl)benzene.
What is the SMILES notation for (1-chloro-2-phenylundecan-2-yl)benzene?
The canonical SMILES for (1-chloro-2-phenylundecan-2-yl)benzene is CCCCCCCCCC(CCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-chloro-2-phenylundecan-2-yl)benzene?
The InChIKey is YKORUIOHSMFZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31Cl/c1-2-3-4-5-6-7-14-19-23(20-24,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18H,2-7,14,19-20H2,1H3.
What are the key properties of (1-chloro-2-phenylundecan-2-yl)benzene?
(1-chloro-2-phenylundecan-2-yl)benzene has a molecular weight of 342.95 g/mol, XLogP of 7.35, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-phenylundecan-2-yl)benzene is sourced from PubChem (CID 152536169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).