(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene

C32H49Cl — CID 21418823

IUPAC(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
SMILESCCCCCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)C(C)(C)Cl
InChIInChI=1S/C32H49Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-32(31(2,3)33,29-24-19-17-20-25-29)30-26-21-18-22-27-30/h17-22,24-27H,4-16,23,28H2,1-3H3
InChIKeyJQGARSQPFZKQMQ-UHFFFAOYSA-N
MW469.20 g/mol
LogP10.86
Rot. Bonds18

About (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene

(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene (PubChem CID 21418823) has the molecular formula C32H49Cl and a molecular weight of 469.20 g/mol. Its IUPAC name is (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene.

Molecular Properties

Compound Name(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
PubChem CID21418823
Molecular FormulaC32H49Cl
Molecular Weight469.20 g/mol
Exact Mass468.35
IUPAC Name(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
SMILESCCCCCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)C(C)(C)Cl
InChIInChI=1S/C32H49Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-32(31(2,3)33,29-24-19-17-20-25-29)30-26-21-18-22-27-30/h17-22,24-27H,4-16,23,28H2,1-3H3
InChIKeyJQGARSQPFZKQMQ-UHFFFAOYSA-N
XLogP10.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.20
LogP ≤ 510.86
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

2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide
CID 175600544
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-phenyldecan-2-amine
CID 63408050
tert-butylbenzene;hexane
CID 175254424
sodium 2-methyl-2-phenyltetradecanoate
CID 175370916
1,1-diphenyldodecan-1-amine
CID 19925745
5-butylhexadecan-5-ylbenzene
CID 173084700
2-phenylicosan-2-amine;hydrochloride
CID 173065845
(1-chloro-2-phenylundecan-2-yl)benzene
CID 152536169
(12-chloro-2,2-dimethyl-3-phenyldodecan-3-yl)benzene
CID 151313012

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene?
The IUPAC name of (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene (CID 21418823) is (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene.
What is the SMILES notation for (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene?
The canonical SMILES for (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene is CCCCCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)C(C)(C)Cl.
What is the InChIKey of (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene?
The InChIKey is JQGARSQPFZKQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-32(31(2,3)33,29-24-19-17-20-25-29)30-26-21-18-22-27-30/h17-22,24-27H,4-16,23,28H2,1-3H3.
What are the key properties of (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene?
(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene has a molecular weight of 469.20 g/mol, XLogP of 10.86, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene is sourced from PubChem (CID 21418823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).